2-chloro-4-cyano-N-(1-pyridin-2-ylethyl)benzenesulfonamide

C14H12ClN3O2S — CID 103988860

IUPAC2-chloro-4-cyano-N-(1-pyridin-2-ylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(C#N)cc1Cl)c1ccccn1
InChIInChI=1S/C14H12ClN3O2S/c1-10(13-4-2-3-7-17-13)18-21(19,20)14-6-5-11(9-16)8-12(14)15/h2-8,10,18H,1H3
InChIKeyNFPRJFDAPYYCKJ-UHFFFAOYSA-N
MW321.79 g/mol
LogP2.65
Rot. Bonds4

About 2-chloro-4-cyano-N-(1-pyridin-2-ylethyl)benzenesulfonamide

2-chloro-4-cyano-N-(1-pyridin-2-ylethyl)benzenesulfonamide (PubChem CID 103988860) has the molecular formula C14H12ClN3O2S and a molecular weight of 321.79 g/mol. Its IUPAC name is 2-chloro-4-cyano-N-(1-pyridin-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-cyano-N-(1-pyridin-2-ylethyl)benzenesulfonamide
PubChem CID103988860
Molecular FormulaC14H12ClN3O2S
Molecular Weight321.79 g/mol
Exact Mass321.03
IUPAC Name2-chloro-4-cyano-N-(1-pyridin-2-ylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(C#N)cc1Cl)c1ccccn1
InChIInChI=1S/C14H12ClN3O2S/c1-10(13-4-2-3-7-17-13)18-21(19,20)14-6-5-11(9-16)8-12(14)15/h2-8,10,18H,1H3
InChIKeyNFPRJFDAPYYCKJ-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 40973699
2-chloro-4-cyano-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 103988889
N-but-3-yn-2-yl-2-chloro-4-cyanobenzenesulfonamide
CID 114419165
2-chloro-4-cyano-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 103989875
2-chloro-4-cyano-N-(1-cyclopropylethyl)benzenesulfonamide
CID 103988900
2-chloro-5-cyano-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 104918937
2-chloro-4-cyano-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 103988819
2-bromo-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 46799998
3-amino-5-chloro-4-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 43524314
N-(1-pyridin-2-ylethyl)methanesulfonamide
CID 60681407
2-chloro-4-cyano-N-(2-methylphenyl)benzenesulfonamide
CID 103988459
2-chloro-N-(3-chloro-2-methyl-4-pyridinyl)-4-cyanobenzenesulfonamide
CID 75523599

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-cyano-N-(1-pyridin-2-ylethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-4-cyano-N-(1-pyridin-2-ylethyl)benzenesulfonamide (CID 103988860) is 2-chloro-4-cyano-N-(1-pyridin-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-cyano-N-(1-pyridin-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-4-cyano-N-(1-pyridin-2-ylethyl)benzenesulfonamide is CC(NS(=O)(=O)c1ccc(C#N)cc1Cl)c1ccccn1.
What is the InChIKey of 2-chloro-4-cyano-N-(1-pyridin-2-ylethyl)benzenesulfonamide?
The InChIKey is NFPRJFDAPYYCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2S/c1-10(13-4-2-3-7-17-13)18-21(19,20)14-6-5-11(9-16)8-12(14)15/h2-8,10,18H,1H3.
What are the key properties of 2-chloro-4-cyano-N-(1-pyridin-2-ylethyl)benzenesulfonamide?
2-chloro-4-cyano-N-(1-pyridin-2-ylethyl)benzenesulfonamide has a molecular weight of 321.79 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-cyano-N-(1-pyridin-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 103988860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).