2-chloro-5-cyano-N-(2-pyridin-3-ylethyl)benzenesulfonamide

C14H12ClN3O2S — CID 80697531

IUPAC2-chloro-5-cyano-N-(2-pyridin-3-ylethyl)benzenesulfonamide
SMILESN#Cc1ccc(Cl)c(S(=O)(=O)NCCc2cccnc2)c1
InChIInChI=1S/C14H12ClN3O2S/c15-13-4-3-12(9-16)8-14(13)21(19,20)18-7-5-11-2-1-6-17-10-11/h1-4,6,8,10,18H,5,7H2
InChIKeyVHCXMICNTILPCT-UHFFFAOYSA-N
MW321.79 g/mol
LogP2.13
Rot. Bonds5

About 2-chloro-5-cyano-N-(2-pyridin-3-ylethyl)benzenesulfonamide

2-chloro-5-cyano-N-(2-pyridin-3-ylethyl)benzenesulfonamide (PubChem CID 80697531) has the molecular formula C14H12ClN3O2S and a molecular weight of 321.79 g/mol. Its IUPAC name is 2-chloro-5-cyano-N-(2-pyridin-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-cyano-N-(2-pyridin-3-ylethyl)benzenesulfonamide
PubChem CID80697531
Molecular FormulaC14H12ClN3O2S
Molecular Weight321.79 g/mol
Exact Mass321.03
IUPAC Name2-chloro-5-cyano-N-(2-pyridin-3-ylethyl)benzenesulfonamide
SMILESN#Cc1ccc(Cl)c(S(=O)(=O)NCCc2cccnc2)c1
InChIInChI=1S/C14H12ClN3O2S/c15-13-4-3-12(9-16)8-14(13)21(19,20)18-7-5-11-2-1-6-17-10-11/h1-4,6,8,10,18H,5,7H2
InChIKeyVHCXMICNTILPCT-UHFFFAOYSA-N
XLogP2.13
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.79
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(2-chloroethyl)-5-cyanobenzenesulfonamide
CID 80704394
N-(2-aminoethyl)-2-chloro-5-cyanobenzenesulfonamide
CID 80704011
8-chloro-N-(2-pyridin-3-ylethyl)quinoline-5-sulfonamide
CID 78893886
N-(3-bromopropyl)-2-chloro-5-cyanobenzenesulfonamide
CID 80704321
2-chloro-5-cyano-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114956174
2-chloro-5-cyano-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 80704123
2-chloro-5-cyano-N-ethylbenzenesulfonamide
CID 80704238
2,5-dichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 660168
5,6-dichloro-N-(2-pyridin-3-ylethyl)pyridine-3-sulfonamide
CID 64608921
2-hydroxy-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 81241998
5-chloro-6-(ethylamino)-N-(2-pyridin-3-ylethyl)pyridine-3-sulfonamide
CID 136574861
2-chloro-5-cyano-N-octylbenzenesulfonamide
CID 115568164

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-cyano-N-(2-pyridin-3-ylethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-5-cyano-N-(2-pyridin-3-ylethyl)benzenesulfonamide (CID 80697531) is 2-chloro-5-cyano-N-(2-pyridin-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-cyano-N-(2-pyridin-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-cyano-N-(2-pyridin-3-ylethyl)benzenesulfonamide is N#Cc1ccc(Cl)c(S(=O)(=O)NCCc2cccnc2)c1.
What is the InChIKey of 2-chloro-5-cyano-N-(2-pyridin-3-ylethyl)benzenesulfonamide?
The InChIKey is VHCXMICNTILPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2S/c15-13-4-3-12(9-16)8-14(13)21(19,20)18-7-5-11-2-1-6-17-10-11/h1-4,6,8,10,18H,5,7H2.
What are the key properties of 2-chloro-5-cyano-N-(2-pyridin-3-ylethyl)benzenesulfonamide?
2-chloro-5-cyano-N-(2-pyridin-3-ylethyl)benzenesulfonamide has a molecular weight of 321.79 g/mol, XLogP of 2.13, 5 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-(2-pyridin-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 80697531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).