2-cyano-N-(quinolin-2-ylmethyl)benzenesulfonamide

C17H13N3O2S — CID 110734145

IUPAC2-cyano-N-(quinolin-2-ylmethyl)benzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)NCc1ccc2ccccc2n1
InChIInChI=1S/C17H13N3O2S/c18-11-14-6-2-4-8-17(14)23(21,22)19-12-15-10-9-13-5-1-3-7-16(13)20-15/h1-10,19H,12H2
InChIKeyQWVMSFOWWMILHV-UHFFFAOYSA-N
MW323.38 g/mol
LogP2.58
Rot. Bonds4

About 2-cyano-N-(quinolin-2-ylmethyl)benzenesulfonamide

2-cyano-N-(quinolin-2-ylmethyl)benzenesulfonamide (PubChem CID 110734145) has the molecular formula C17H13N3O2S and a molecular weight of 323.38 g/mol. Its IUPAC name is 2-cyano-N-(quinolin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-(quinolin-2-ylmethyl)benzenesulfonamide
PubChem CID110734145
Molecular FormulaC17H13N3O2S
Molecular Weight323.38 g/mol
Exact Mass323.07
IUPAC Name2-cyano-N-(quinolin-2-ylmethyl)benzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)NCc1ccc2ccccc2n1
InChIInChI=1S/C17H13N3O2S/c18-11-14-6-2-4-8-17(14)23(21,22)19-12-15-10-9-13-5-1-3-7-16(13)20-15/h1-10,19H,12H2
InChIKeyQWVMSFOWWMILHV-UHFFFAOYSA-N
XLogP2.58
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 62309272
2-cyano-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122353594
2-cyano-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 2572565
2-cyano-N-prop-2-ynylbenzenesulfonamide
CID 9356113
2-cyano-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]benzenesulfonamide
CID 110873488
2-cyano-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 26948091
2-cyano-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 62057216
2-cyano-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 60729128
2-cyano-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 24710652
2-cyano-N-[[4-(dimethylamino)phenyl]methyl]benzenesulfonamide
CID 9031818
2-cyano-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 110739071
2-cyano-N-(2-phenylethyl)benzenesulfonamide
CID 3500877

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(quinolin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-cyano-N-(quinolin-2-ylmethyl)benzenesulfonamide (CID 110734145) is 2-cyano-N-(quinolin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-(quinolin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-cyano-N-(quinolin-2-ylmethyl)benzenesulfonamide is N#Cc1ccccc1S(=O)(=O)NCc1ccc2ccccc2n1.
What is the InChIKey of 2-cyano-N-(quinolin-2-ylmethyl)benzenesulfonamide?
The InChIKey is QWVMSFOWWMILHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2S/c18-11-14-6-2-4-8-17(14)23(21,22)19-12-15-10-9-13-5-1-3-7-16(13)20-15/h1-10,19H,12H2.
What are the key properties of 2-cyano-N-(quinolin-2-ylmethyl)benzenesulfonamide?
2-cyano-N-(quinolin-2-ylmethyl)benzenesulfonamide has a molecular weight of 323.38 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(quinolin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 110734145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).