chempirical

H-9 Dihydrochloride

C11H15Cl2N3O2SCAS 116700-36-8324.22 g/mol

Open in Covalent MOL file
NSOONHH2NHClHCl
Primary amineSulfonamide

Properties

Molecular formula
C11H15Cl2N3O2S
Molar mass
324.22 g/mol
Exact mass
323.0262 Da
logP
1.32Crippen estimate
Polar surface area
85.1 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
4

Identifiers

CAS number
116700-36-8
SMILES
C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCCN.Cl.Cl
InChIKey
HBLCYSFLYMHCBM-UHFFFAOYSA-N
InChI
InChI=1S/C11H13N3O2S.2ClH/c12-5-7-14-17(15,16)11-3-1-2-9-8-13-6-4-10(9)11;;/h1-4,6,8,14H,5,7,12H2;2*1H

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Work with H-9 Dihydrochloride

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

H 8 Dihydrochloride113276-94-173 % similar H-89127243-85-052 % similar Fasudil hydrochloride105628-07-751 % similar W-7 Hydrochloride61714-27-050 % similar 5-Isoquinolinesulfonic acid27655-40-948 % similar 5-Isoquinolinesulfonyl chloride84468-15-548 % similar H 7 Dihydrochloride108930-17-248 % similar Fasudil103745-39-746 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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