3-chloro-4-cyano-N-(2-cyanocyclopentyl)benzenesulfonamide

C13H12ClN3O2S — CID 115674549

IUPAC3-chloro-4-cyano-N-(2-cyanocyclopentyl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NC2CCCC2C#N)cc1Cl
InChIInChI=1S/C13H12ClN3O2S/c14-12-6-11(5-4-9(12)7-15)20(18,19)17-13-3-1-2-10(13)8-16/h4-6,10,13,17H,1-3H2
InChIKeyTWMDCZAKLJUWHK-UHFFFAOYSA-N
MW309.78 g/mol
LogP2.18
Rot. Bonds3

About 3-chloro-4-cyano-N-(2-cyanocyclopentyl)benzenesulfonamide

3-chloro-4-cyano-N-(2-cyanocyclopentyl)benzenesulfonamide (PubChem CID 115674549) has the molecular formula C13H12ClN3O2S and a molecular weight of 309.78 g/mol. Its IUPAC name is 3-chloro-4-cyano-N-(2-cyanocyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-cyano-N-(2-cyanocyclopentyl)benzenesulfonamide
PubChem CID115674549
Molecular FormulaC13H12ClN3O2S
Molecular Weight309.78 g/mol
Exact Mass309.03
IUPAC Name3-chloro-4-cyano-N-(2-cyanocyclopentyl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NC2CCCC2C#N)cc1Cl
InChIInChI=1S/C13H12ClN3O2S/c14-12-6-11(5-4-9(12)7-15)20(18,19)17-13-3-1-2-10(13)8-16/h4-6,10,13,17H,1-3H2
InChIKeyTWMDCZAKLJUWHK-UHFFFAOYSA-N
XLogP2.18
TPSA93.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.78
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-cyano-N-(2-methylcyclopentyl)benzenesulfonamide
CID 112689807
2-chloro-5-[(2-cyanocyclopentyl)sulfamoyl]benzoic acid
CID 62961818
2-chloro-N-(2-cyanocyclopentyl)pyridine-4-sulfonamide
CID 62962177
3-cyano-N-(2-cyanocyclopentyl)benzenesulfonamide
CID 62961811
N-[(1R,2S)-2-cyanocyclopentyl]-4-methylbenzenesulfonamide
CID 101252932
4-bromo-2-chloro-N-(2-cyanocyclopentyl)benzenesulfonamide
CID 62963448
3-chloro-4-cyano-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 104982589
3-chloro-4-cyano-N-(2-cyclobutylethyl)benzenesulfonamide
CID 115690473
3-chloro-4-cyano-N-(oxolan-3-yl)benzenesulfonamide
CID 112703665
4-chloro-3-[(2-cyanocyclopentyl)sulfamoyl]benzoic acid
CID 62960903
5-[(2-cyanocyclopentyl)sulfamoyl]-2-iodobenzoic acid
CID 103962487
3-chloro-4-cyano-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964435

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-cyano-N-(2-cyanocyclopentyl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-cyano-N-(2-cyanocyclopentyl)benzenesulfonamide (CID 115674549) is 3-chloro-4-cyano-N-(2-cyanocyclopentyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-cyano-N-(2-cyanocyclopentyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-cyano-N-(2-cyanocyclopentyl)benzenesulfonamide is N#Cc1ccc(S(=O)(=O)NC2CCCC2C#N)cc1Cl.
What is the InChIKey of 3-chloro-4-cyano-N-(2-cyanocyclopentyl)benzenesulfonamide?
The InChIKey is TWMDCZAKLJUWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2S/c14-12-6-11(5-4-9(12)7-15)20(18,19)17-13-3-1-2-10(13)8-16/h4-6,10,13,17H,1-3H2.
What are the key properties of 3-chloro-4-cyano-N-(2-cyanocyclopentyl)benzenesulfonamide?
3-chloro-4-cyano-N-(2-cyanocyclopentyl)benzenesulfonamide has a molecular weight of 309.78 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-cyano-N-(2-cyanocyclopentyl)benzenesulfonamide is sourced from PubChem (CID 115674549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).