2-cyano-3-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride

C14H20ClN3O2S — CID 91647295

IUPAC2-cyano-3-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
SMILESCc1cccc(S(=O)(=O)NCC2CCCNC2)c1C#N.Cl
InChIInChI=1S/C14H19N3O2S.ClH/c1-11-4-2-6-14(13(11)8-15)20(18,19)17-10-12-5-3-7-16-9-12;/h2,4,6,12,16-17H,3,5,7,9-10H2,1H3;1H
InChIKeyKNJHUSOKIIXANU-UHFFFAOYSA-N
MW329.85 g/mol
LogP1.57
Rot. Bonds4

About 2-cyano-3-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride

2-cyano-3-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride (PubChem CID 91647295) has the molecular formula C14H20ClN3O2S and a molecular weight of 329.85 g/mol. Its IUPAC name is 2-cyano-3-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-cyano-3-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
PubChem CID91647295
Molecular FormulaC14H20ClN3O2S
Molecular Weight329.85 g/mol
Exact Mass329.10
IUPAC Name2-cyano-3-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
SMILESCc1cccc(S(=O)(=O)NCC2CCCNC2)c1C#N.Cl
InChIInChI=1S/C14H19N3O2S.ClH/c1-11-4-2-6-14(13(11)8-15)20(18,19)17-10-12-5-3-7-16-9-12;/h2,4,6,12,16-17H,3,5,7,9-10H2,1H3;1H
InChIKeyKNJHUSOKIIXANU-UHFFFAOYSA-N
XLogP1.57
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.85
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-cyano-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 119968274
2-bromo-3-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 119968293
2-N,2-N-dimethyl-1-N-(piperidin-3-ylmethyl)benzene-1,2-disulfonamide;hydrochloride
CID 120707833
5-cyano-2-methyl-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80563212
4-methoxy-2-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968409
2-bromo-3-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 119979225
6-methyl-N-(piperidin-3-ylmethyl)-1,3-benzodioxole-5-sulfonamide;hydrochloride
CID 120874714
4-cyano-2,6-difluoro-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968672
4-methylsulfonyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968466
2-cyano-3-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)benzenesulfonamide
CID 129005301
5-methyl-N-(piperidin-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 60912089
2,3-dimethyl-N-(piperidin-4-ylmethyl)benzenesulfonamide
CID 71564527

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of 2-cyano-3-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride (CID 91647295) is 2-cyano-3-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 2-cyano-3-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 2-cyano-3-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride is Cc1cccc(S(=O)(=O)NCC2CCCNC2)c1C#N.Cl.
What is the InChIKey of 2-cyano-3-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride?
The InChIKey is KNJHUSOKIIXANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S.ClH/c1-11-4-2-6-14(13(11)8-15)20(18,19)17-10-12-5-3-7-16-9-12;/h2,4,6,12,16-17H,3,5,7,9-10H2,1H3;1H.
What are the key properties of 2-cyano-3-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride?
2-cyano-3-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride has a molecular weight of 329.85 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 91647295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).