4-(4-Methylpiperazine-1-sulfonyl)aniline

C₁₁H₁₇N₃O₂SCAS 21623-68-7255.34 g/mol

Open in Covalent MOL file

Primary amine Sulfonamide Tertiary amine

Properties

Molecular formula: C₁₁H₁₇N₃O₂S
Molar mass: 255.34 g/mol
Exact mass: 255.1041 Da
logP: 0.20Crippen estimate
Polar surface area: 66.6 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

21623-68-7

SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N

InChIKey

YEKKOBZSGMPECJ-UHFFFAOYSA-N

InChI

InChI=1S/C11H17N3O2S/c1-13-6-8-14(9-7-13)17(15,16)11-4-2-10(12)3-5-11/h2-5H,6-9,12H2,1H3

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Names and synonyms

1 names

4-[(4-Methylpiperazine-1-)sulfonyl]aniline

Work with 4-(4-Methylpiperazine-1-sulfonyl)aniline

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-(Pyrrolidine-1-sulfonyl)aniline88327-91-770 % similar 4-(Piperidine-1-sulfonyl)-phenylamine6336-68-168 % similar 4-(Morpholinosulfonyl)aniline21626-70-064 % similar 4-Amino-N,N-dimethylbenzenesulfonamide1709-59-759 % similar 4-(4-Methylpiperazin-1-yl)aniline16153-81-450 % similar 1-[(4-Methylphenyl)sulfonyl]piperazine27106-51-044 % similar N,N-Bis(2-chloroethyl)-4-methylbenzenesulfonamide42137-88-244 % similar 3-(Morpholinosulfonyl)aniline22184-97-043 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,1-Dimethylethyl 2-amino-6,7-dihydrothiazolo[5,4-c]pyridine-5(4H)-carboxylate365996-05-0

Elsewhere

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