2-chloro-N-[(3-methylcyclopentyl)methyl]pyridine-3-sulfonamide

C12H17ClN2O2S — CID 107412513

IUPAC2-chloro-N-[(3-methylcyclopentyl)methyl]pyridine-3-sulfonamide
SMILESCC1CCC(CNS(=O)(=O)c2cccnc2Cl)C1
InChIInChI=1S/C12H17ClN2O2S/c1-9-4-5-10(7-9)8-15-18(16,17)11-3-2-6-14-12(11)13/h2-3,6,9-10,15H,4-5,7-8H2,1H3
InChIKeySQUZGBZUOMPXDX-UHFFFAOYSA-N
MW288.80 g/mol
LogP2.45
Rot. Bonds4

About 2-chloro-N-[(3-methylcyclopentyl)methyl]pyridine-3-sulfonamide

2-chloro-N-[(3-methylcyclopentyl)methyl]pyridine-3-sulfonamide (PubChem CID 107412513) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 2-chloro-N-[(3-methylcyclopentyl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(3-methylcyclopentyl)methyl]pyridine-3-sulfonamide
PubChem CID107412513
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC Name2-chloro-N-[(3-methylcyclopentyl)methyl]pyridine-3-sulfonamide
SMILESCC1CCC(CNS(=O)(=O)c2cccnc2Cl)C1
InChIInChI=1S/C12H17ClN2O2S/c1-9-4-5-10(7-9)8-15-18(16,17)11-3-2-6-14-12(11)13/h2-3,6,9-10,15H,4-5,7-8H2,1H3
InChIKeySQUZGBZUOMPXDX-UHFFFAOYSA-N
XLogP2.45
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[(3-methylcyclopentyl)methyl]pyridine-3-sulfonamide
CID 107411108
2-hydrazinyl-N-[(3-methylcyclohexyl)methyl]pyridine-3-sulfonamide
CID 114130685
2-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-3-sulfonamide
CID 61047462
2-chloro-N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide
CID 43456566
2-chloro-N-(2-cyclohexylethyl)pyridine-3-sulfonamide
CID 54932567
2-amino-N-[(3-methylcyclohexyl)methyl]benzenesulfonamide
CID 104859207
2,4-dichloro-3-(hydroxymethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 106000246
N-[(3-methylcyclopentyl)methyl]-1H-pyrazole-5-sulfonamide
CID 107414868
4-chloro-3-[(3-methylcyclopentyl)methylsulfamoyl]benzoic acid
CID 107411393
2-chloro-N-cyclobutylpyridine-3-sulfonamide
CID 62414188
6-amino-N-[(3-methylcyclopentyl)methyl]pyridine-3-sulfonamide
CID 107411147
2,5-dichloro-3-(hydroxymethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 106000226

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-methylcyclopentyl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-[(3-methylcyclopentyl)methyl]pyridine-3-sulfonamide (CID 107412513) is 2-chloro-N-[(3-methylcyclopentyl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-[(3-methylcyclopentyl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-[(3-methylcyclopentyl)methyl]pyridine-3-sulfonamide is CC1CCC(CNS(=O)(=O)c2cccnc2Cl)C1.
What is the InChIKey of 2-chloro-N-[(3-methylcyclopentyl)methyl]pyridine-3-sulfonamide?
The InChIKey is SQUZGBZUOMPXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2S/c1-9-4-5-10(7-9)8-15-18(16,17)11-3-2-6-14-12(11)13/h2-3,6,9-10,15H,4-5,7-8H2,1H3.
What are the key properties of 2-chloro-N-[(3-methylcyclopentyl)methyl]pyridine-3-sulfonamide?
2-chloro-N-[(3-methylcyclopentyl)methyl]pyridine-3-sulfonamide has a molecular weight of 288.80 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-methylcyclopentyl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 107412513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).