2-chloro-5-cyano-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide

C14H12ClN3O2S — CID 114956174

IUPAC2-chloro-5-cyano-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
SMILESCc1ccncc1CNS(=O)(=O)c1cc(C#N)ccc1Cl
InChIInChI=1S/C14H12ClN3O2S/c1-10-4-5-17-8-12(10)9-18-21(19,20)14-6-11(7-16)2-3-13(14)15/h2-6,8,18H,9H2,1H3
InChIKeyDDQDKXGFYSPUMT-UHFFFAOYSA-N
MW321.79 g/mol
LogP2.39
Rot. Bonds4

About 2-chloro-5-cyano-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide

2-chloro-5-cyano-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide (PubChem CID 114956174) has the molecular formula C14H12ClN3O2S and a molecular weight of 321.79 g/mol. Its IUPAC name is 2-chloro-5-cyano-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-cyano-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
PubChem CID114956174
Molecular FormulaC14H12ClN3O2S
Molecular Weight321.79 g/mol
Exact Mass321.03
IUPAC Name2-chloro-5-cyano-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
SMILESCc1ccncc1CNS(=O)(=O)c1cc(C#N)ccc1Cl
InChIInChI=1S/C14H12ClN3O2S/c1-10-4-5-17-8-12(10)9-18-21(19,20)14-6-11(7-16)2-3-13(14)15/h2-6,8,18H,9H2,1H3
InChIKeyDDQDKXGFYSPUMT-UHFFFAOYSA-N
XLogP2.39
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.79
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-chloro-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114954417
2-chloro-5-cyano-N-ethylbenzenesulfonamide
CID 80704238
2-chloro-5-cyano-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 80704491
2-chloro-5-cyano-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 80697531
N-[(5-amino-1H-pyrazol-4-yl)methyl]-5-cyano-2-methylbenzenesulfonamide
CID 79529225
2-cyano-3-fluoro-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114956176
4-amino-2,6-dichloro-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114954441
6-cyano-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 114956180
5,6-dichloro-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 114955310
2-chloro-5-cyano-N-[(4-hydroxyphenyl)methyl]benzenesulfonamide
CID 114332498
2-chloro-N-(2-chloroethyl)-5-cyanobenzenesulfonamide
CID 80704394
N-(3-amino-4-pyridinyl)-2-chloro-5-cyanobenzenesulfonamide
CID 80704826

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-cyano-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide?
The IUPAC name of 2-chloro-5-cyano-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide (CID 114956174) is 2-chloro-5-cyano-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-cyano-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-5-cyano-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide is Cc1ccncc1CNS(=O)(=O)c1cc(C#N)ccc1Cl.
What is the InChIKey of 2-chloro-5-cyano-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide?
The InChIKey is DDQDKXGFYSPUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2S/c1-10-4-5-17-8-12(10)9-18-21(19,20)14-6-11(7-16)2-3-13(14)15/h2-6,8,18H,9H2,1H3.
What are the key properties of 2-chloro-5-cyano-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide?
2-chloro-5-cyano-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide has a molecular weight of 321.79 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-cyano-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide is sourced from PubChem (CID 114956174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).