2-chloro-N-(2-cyanocyclopentyl)pyridine-4-sulfonamide

C11H12ClN3O2S — CID 62962177

IUPAC2-chloro-N-(2-cyanocyclopentyl)pyridine-4-sulfonamide
SMILESN#CC1CCCC1NS(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C11H12ClN3O2S/c12-11-6-9(4-5-14-11)18(16,17)15-10-3-1-2-8(10)7-13/h4-6,8,10,15H,1-3H2
InChIKeyNABAFDISGSRXTI-UHFFFAOYSA-N
MW285.76 g/mol
LogP1.71
Rot. Bonds3

About 2-chloro-N-(2-cyanocyclopentyl)pyridine-4-sulfonamide

2-chloro-N-(2-cyanocyclopentyl)pyridine-4-sulfonamide (PubChem CID 62962177) has the molecular formula C11H12ClN3O2S and a molecular weight of 285.76 g/mol. Its IUPAC name is 2-chloro-N-(2-cyanocyclopentyl)pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-cyanocyclopentyl)pyridine-4-sulfonamide
PubChem CID62962177
Molecular FormulaC11H12ClN3O2S
Molecular Weight285.76 g/mol
Exact Mass285.03
IUPAC Name2-chloro-N-(2-cyanocyclopentyl)pyridine-4-sulfonamide
SMILESN#CC1CCCC1NS(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C11H12ClN3O2S/c12-11-6-9(4-5-14-11)18(16,17)15-10-3-1-2-8(10)7-13/h4-6,8,10,15H,1-3H2
InChIKeyNABAFDISGSRXTI-UHFFFAOYSA-N
XLogP1.71
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.76
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-cyano-N-(2-cyanocyclopentyl)benzenesulfonamide
CID 115674549
2-chloro-N-(2-ethylcyclohexyl)pyridine-4-sulfonamide
CID 61051433
2-chloro-5-[(2-cyanocyclopentyl)sulfamoyl]benzoic acid
CID 62961818
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
5-[(2-cyanocyclopentyl)sulfamoyl]-2-iodobenzoic acid
CID 103962487
2-chloro-N-(3-ethylcyclohexyl)pyridine-4-sulfonamide
CID 64749413
2-[4-[(2-cyanocyclopentyl)sulfamoyl]phenyl]acetic acid
CID 62961272
4-chloro-3-[(2-cyanocyclopentyl)sulfamoyl]benzoic acid
CID 62960903
2-chloro-N-(cyanomethyl)pyridine-4-sulfonamide
CID 61249256
2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-4-sulfonamide
CID 63318006

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-cyanocyclopentyl)pyridine-4-sulfonamide?
The IUPAC name of 2-chloro-N-(2-cyanocyclopentyl)pyridine-4-sulfonamide (CID 62962177) is 2-chloro-N-(2-cyanocyclopentyl)pyridine-4-sulfonamide.
What is the SMILES notation for 2-chloro-N-(2-cyanocyclopentyl)pyridine-4-sulfonamide?
The canonical SMILES for 2-chloro-N-(2-cyanocyclopentyl)pyridine-4-sulfonamide is N#CC1CCCC1NS(=O)(=O)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-(2-cyanocyclopentyl)pyridine-4-sulfonamide?
The InChIKey is NABAFDISGSRXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2S/c12-11-6-9(4-5-14-11)18(16,17)15-10-3-1-2-8(10)7-13/h4-6,8,10,15H,1-3H2.
What are the key properties of 2-chloro-N-(2-cyanocyclopentyl)pyridine-4-sulfonamide?
2-chloro-N-(2-cyanocyclopentyl)pyridine-4-sulfonamide has a molecular weight of 285.76 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-cyanocyclopentyl)pyridine-4-sulfonamide is sourced from PubChem (CID 62962177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).