4-chloro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-3-sulfonamide

C12H17ClN2O3S — CID 104940851

IUPAC4-chloro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NC1CCCCC1CO)c1cnccc1Cl
InChIInChI=1S/C12H17ClN2O3S/c13-10-5-6-14-7-12(10)19(17,18)15-11-4-2-1-3-9(11)8-16/h5-7,9,11,15-16H,1-4,8H2
InChIKeyMVZGDBVRZSRRHP-UHFFFAOYSA-N
MW304.80 g/mol
LogP1.56
Rot. Bonds4

About 4-chloro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-3-sulfonamide

4-chloro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-3-sulfonamide (PubChem CID 104940851) has the molecular formula C12H17ClN2O3S and a molecular weight of 304.80 g/mol. Its IUPAC name is 4-chloro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-3-sulfonamide
PubChem CID104940851
Molecular FormulaC12H17ClN2O3S
Molecular Weight304.80 g/mol
Exact Mass304.06
IUPAC Name4-chloro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NC1CCCCC1CO)c1cnccc1Cl
InChIInChI=1S/C12H17ClN2O3S/c13-10-5-6-14-7-12(10)19(17,18)15-11-4-2-1-3-9(11)8-16/h5-7,9,11,15-16H,1-4,8H2
InChIKeyMVZGDBVRZSRRHP-UHFFFAOYSA-N
XLogP1.56
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-5-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 103815165
4-chloro-N-cyclohexylpyridine-3-sulfonamide
CID 10492602
5-chloro-N-[2-(hydroxymethyl)cyclohexyl]-2-methylbenzenesulfonamide
CID 103815189
3-chloro-2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 103836072
2-bromo-N-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 90314044
6-chloro-N-[2-(hydroxymethyl)cyclopentyl]pyridine-3-sulfonamide
CID 103836075
2,3,4-trifluoro-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 103858682
5-amino-2-chloro-N-[2-(hydroxymethyl)cyclopentyl]-4-methylbenzenesulfonamide
CID 106358815
2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 103836039
4-amino-N-[2-(hydroxymethyl)cyclohexyl]-2-methylbenzenesulfonamide
CID 106358885
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-4-methylbenzenesulfonamide
CID 106358830
N-[2-(hydroxymethyl)cyclopentyl]-1H-pyrazole-5-sulfonamide
CID 106364162

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-3-sulfonamide?
The IUPAC name of 4-chloro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-3-sulfonamide (CID 104940851) is 4-chloro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-3-sulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-3-sulfonamide?
The canonical SMILES for 4-chloro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-3-sulfonamide is O=S(=O)(NC1CCCCC1CO)c1cnccc1Cl.
What is the InChIKey of 4-chloro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-3-sulfonamide?
The InChIKey is MVZGDBVRZSRRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3S/c13-10-5-6-14-7-12(10)19(17,18)15-11-4-2-1-3-9(11)8-16/h5-7,9,11,15-16H,1-4,8H2.
What are the key properties of 4-chloro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-3-sulfonamide?
4-chloro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-3-sulfonamide has a molecular weight of 304.80 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-3-sulfonamide is sourced from PubChem (CID 104940851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).