2-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-sulfonamide

C12H17ClN2O3S — CID 114147254

IUPAC2-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-sulfonamide
SMILESO=S(=O)(NCC1CCCC(O)C1)c1ccnc(Cl)c1
InChIInChI=1S/C12H17ClN2O3S/c13-12-7-11(4-5-14-12)19(17,18)15-8-9-2-1-3-10(16)6-9/h4-5,7,9-10,15-16H,1-3,6,8H2
InChIKeyJSWGNMPXSHPRME-UHFFFAOYSA-N
MW304.80 g/mol
LogP1.56
Rot. Bonds4

About 2-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-sulfonamide

2-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-sulfonamide (PubChem CID 114147254) has the molecular formula C12H17ClN2O3S and a molecular weight of 304.80 g/mol. Its IUPAC name is 2-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-sulfonamide
PubChem CID114147254
Molecular FormulaC12H17ClN2O3S
Molecular Weight304.80 g/mol
Exact Mass304.06
IUPAC Name2-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-sulfonamide
SMILESO=S(=O)(NCC1CCCC(O)C1)c1ccnc(Cl)c1
InChIInChI=1S/C12H17ClN2O3S/c13-12-7-11(4-5-14-12)19(17,18)15-8-9-2-1-3-10(16)6-9/h4-5,7,9-10,15-16H,1-3,6,8H2
InChIKeyJSWGNMPXSHPRME-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

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
CID 103835870
3,5-dichloro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 103835805
N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
CID 113318540
2-chloro-N-(2-cyclohexylethyl)pyridine-4-sulfonamide
CID 54896019
N-[(3-hydroxycyclohexyl)methyl]-3,5-dimethylbenzenesulfonamide
CID 106126424
3-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 103270183
2-chloro-N-(3-ethylcyclohexyl)pyridine-4-sulfonamide
CID 64749413
5-fluoro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
CID 103835856
4-cyano-N-[[(1R,3R)-3-hydroxycyclohexyl]methyl]benzenesulfonamide
CID 97239465
4-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 54351747
5-chloro-N-[(3-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide
CID 103835873
5-amino-2-chloro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119339

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-sulfonamide?
The IUPAC name of 2-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-sulfonamide (CID 114147254) is 2-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-sulfonamide.
What is the SMILES notation for 2-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-sulfonamide?
The canonical SMILES for 2-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-sulfonamide is O=S(=O)(NCC1CCCC(O)C1)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-sulfonamide?
The InChIKey is JSWGNMPXSHPRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3S/c13-12-7-11(4-5-14-12)19(17,18)15-8-9-2-1-3-10(16)6-9/h4-5,7,9-10,15-16H,1-3,6,8H2.
What are the key properties of 2-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-sulfonamide?
2-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-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 2-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-sulfonamide is sourced from PubChem (CID 114147254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).