5-chloro-N-[2-(hydroxymethyl)cyclohexyl]-6-oxo-1H-pyridine-3-sulfonamide

C12H17ClN2O4S — CID 106364168

IUPAC5-chloro-N-[2-(hydroxymethyl)cyclohexyl]-6-oxo-1H-pyridine-3-sulfonamide
SMILESO=c1[nH]cc(S(=O)(=O)NC2CCCCC2CO)cc1Cl
InChIInChI=1S/C12H17ClN2O4S/c13-10-5-9(6-14-12(10)17)20(18,19)15-11-4-2-1-3-8(11)7-16/h5-6,8,11,15-16H,1-4,7H2,(H,14,17)
InChIKeyLATAFVFNOWWUFO-UHFFFAOYSA-N
MW320.80 g/mol
LogP0.86
Rot. Bonds4

About 5-chloro-N-[2-(hydroxymethyl)cyclohexyl]-6-oxo-1H-pyridine-3-sulfonamide

5-chloro-N-[2-(hydroxymethyl)cyclohexyl]-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 106364168) has the molecular formula C12H17ClN2O4S and a molecular weight of 320.80 g/mol. Its IUPAC name is 5-chloro-N-[2-(hydroxymethyl)cyclohexyl]-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-(hydroxymethyl)cyclohexyl]-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID106364168
Molecular FormulaC12H17ClN2O4S
Molecular Weight320.80 g/mol
Exact Mass320.06
IUPAC Name5-chloro-N-[2-(hydroxymethyl)cyclohexyl]-6-oxo-1H-pyridine-3-sulfonamide
SMILESO=c1[nH]cc(S(=O)(=O)NC2CCCCC2CO)cc1Cl
InChIInChI=1S/C12H17ClN2O4S/c13-10-5-9(6-14-12(10)17)20(18,19)15-11-4-2-1-3-8(11)7-16/h5-6,8,11,15-16H,1-4,7H2,(H,14,17)
InChIKeyLATAFVFNOWWUFO-UHFFFAOYSA-N
XLogP0.86
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 106364163
3-chloro-4-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 103836042
3-amino-5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-4-methylbenzenesulfonamide
CID 106358803
5-chloro-N-(oxan-4-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64607304
2-chloro-5-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 103815165
5-chloro-N-(1,3-dimethylpiperidin-4-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 114505759
4-(2-chloroethyl)-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 103858722
6-chloro-N-[2-(hydroxymethyl)cyclopentyl]pyridine-3-sulfonamide
CID 103836075
4-chloro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-3-sulfonamide
CID 104940851
5-chloro-N-[2-(hydroxymethyl)cyclohexyl]-2-methylbenzenesulfonamide
CID 103815189
5-chloro-N-(1-cyclopropylpropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64607914
5-amino-2-chloro-N-[2-(hydroxymethyl)cyclopentyl]-4-methylbenzenesulfonamide
CID 106358815

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(hydroxymethyl)cyclohexyl]-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-[2-(hydroxymethyl)cyclohexyl]-6-oxo-1H-pyridine-3-sulfonamide (CID 106364168) is 5-chloro-N-[2-(hydroxymethyl)cyclohexyl]-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-(hydroxymethyl)cyclohexyl]-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-(hydroxymethyl)cyclohexyl]-6-oxo-1H-pyridine-3-sulfonamide is O=c1[nH]cc(S(=O)(=O)NC2CCCCC2CO)cc1Cl.
What is the InChIKey of 5-chloro-N-[2-(hydroxymethyl)cyclohexyl]-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is LATAFVFNOWWUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O4S/c13-10-5-9(6-14-12(10)17)20(18,19)15-11-4-2-1-3-8(11)7-16/h5-6,8,11,15-16H,1-4,7H2,(H,14,17).
What are the key properties of 5-chloro-N-[2-(hydroxymethyl)cyclohexyl]-6-oxo-1H-pyridine-3-sulfonamide?
5-chloro-N-[2-(hydroxymethyl)cyclohexyl]-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 320.80 g/mol, XLogP of 0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(hydroxymethyl)cyclohexyl]-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 106364168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).