5-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide

C13H19ClN2O4S — CID 65123017

IUPAC5-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
SMILESCC1CCC(O)(CNS(=O)(=O)c2c[nH]c(=O)c(Cl)c2)CC1
InChIInChI=1S/C13H19ClN2O4S/c1-9-2-4-13(18,5-3-9)8-16-21(19,20)10-6-11(14)12(17)15-7-10/h6-7,9,16,18H,2-5,8H2,1H3,(H,15,17)
InChIKeyVGZACJHKYLASHJ-UHFFFAOYSA-N
MW334.83 g/mol
LogP1.25
Rot. Bonds4

About 5-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide

5-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 65123017) has the molecular formula C13H19ClN2O4S and a molecular weight of 334.83 g/mol. Its IUPAC name is 5-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID65123017
Molecular FormulaC13H19ClN2O4S
Molecular Weight334.83 g/mol
Exact Mass334.08
IUPAC Name5-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
SMILESCC1CCC(O)(CNS(=O)(=O)c2c[nH]c(=O)c(Cl)c2)CC1
InChIInChI=1S/C13H19ClN2O4S/c1-9-2-4-13(18,5-3-9)8-16-21(19,20)10-6-11(14)12(17)15-7-10/h6-7,9,16,18H,2-5,8H2,1H3,(H,15,17)
InChIKeyVGZACJHKYLASHJ-UHFFFAOYSA-N
XLogP1.25
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-6-oxo-1H-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

5-amino-2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide
CID 65115078
2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]acetic acid
CID 64606557
5-chloro-N-[(3-hydroxycyclopentyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 106137444
3-amino-4-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide
CID 65115419
2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]-N-methylacetamide
CID 64607870
5-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 64608260
1-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]methanesulfonamide
CID 65123212
5-chloro-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 115361937
5-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 64607902
5-chloro-N-(1-methylcyclobutyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 113485860
5-chloro-N-(1-cyclopropylpropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64607914
N-[2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]ethyl]-2-methylpropanamide
CID 64608272

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide (CID 65123017) is 5-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide is CC1CCC(O)(CNS(=O)(=O)c2c[nH]c(=O)c(Cl)c2)CC1.
What is the InChIKey of 5-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is VGZACJHKYLASHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O4S/c1-9-2-4-13(18,5-3-9)8-16-21(19,20)10-6-11(14)12(17)15-7-10/h6-7,9,16,18H,2-5,8H2,1H3,(H,15,17).
What are the key properties of 5-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide?
5-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 334.83 g/mol, XLogP of 1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 65123017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).