3-chloro-N-(2-hydroxy-2-methylpentyl)-4-methoxybenzenesulfonamide

C13H20ClNO4S — CID 103835335

IUPAC3-chloro-N-(2-hydroxy-2-methylpentyl)-4-methoxybenzenesulfonamide
SMILESCCCC(C)(O)CNS(=O)(=O)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C13H20ClNO4S/c1-4-7-13(2,16)9-15-20(17,18)10-5-6-12(19-3)11(14)8-10/h5-6,8,15-16H,4,7,9H2,1-3H3
InChIKeyLOOQSNTUFSPKAZ-UHFFFAOYSA-N
MW321.83 g/mol
LogP2.18
Rot. Bonds7

About 3-chloro-N-(2-hydroxy-2-methylpentyl)-4-methoxybenzenesulfonamide

3-chloro-N-(2-hydroxy-2-methylpentyl)-4-methoxybenzenesulfonamide (PubChem CID 103835335) has the molecular formula C13H20ClNO4S and a molecular weight of 321.83 g/mol. Its IUPAC name is 3-chloro-N-(2-hydroxy-2-methylpentyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2-hydroxy-2-methylpentyl)-4-methoxybenzenesulfonamide
PubChem CID103835335
Molecular FormulaC13H20ClNO4S
Molecular Weight321.83 g/mol
Exact Mass321.08
IUPAC Name3-chloro-N-(2-hydroxy-2-methylpentyl)-4-methoxybenzenesulfonamide
SMILESCCCC(C)(O)CNS(=O)(=O)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C13H20ClNO4S/c1-4-7-13(2,16)9-15-20(17,18)10-5-6-12(19-3)11(14)8-10/h5-6,8,15-16H,4,7,9H2,1-3H3
InChIKeyLOOQSNTUFSPKAZ-UHFFFAOYSA-N
XLogP2.18
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-(2-hydroxy-2-methylpentyl)-4-methoxybenzenesulfonamide 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

3-chloro-N-(2-ethyl-2-hydroxybutyl)-4-methoxybenzenesulfonamide
CID 65113185
4-amino-N-(2-hydroxy-2-methylpentyl)-3-methoxybenzenesulfonamide
CID 106289688
3-[(3-chloro-4-methoxyphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 66174031
3-chloro-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-4-methoxybenzenesulfonamide
CID 126852183
3-chloro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-4-methoxybenzenesulfonamide
CID 95983496
3-bromo-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-methoxybenzenesulfonamide
CID 103834939
3-chloro-N-(2-hydroxy-4,4-dimethylpentyl)-4-methoxybenzenesulfonamide
CID 103835507
3-chloro-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 37477959
N-(2-hydroxy-2-methylpentyl)-3-methylbenzenesulfonamide
CID 103835403
3-chloro-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-methoxybenzenesulfonamide
CID 90535542
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-2-ethylbutanoic acid
CID 79814367
N-(2-ethyl-2-hydroxybutyl)-4-methoxy-3-methylbenzenesulfonamide
CID 65113407

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-hydroxy-2-methylpentyl)-4-methoxybenzenesulfonamide?
The IUPAC name of 3-chloro-N-(2-hydroxy-2-methylpentyl)-4-methoxybenzenesulfonamide (CID 103835335) is 3-chloro-N-(2-hydroxy-2-methylpentyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(2-hydroxy-2-methylpentyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(2-hydroxy-2-methylpentyl)-4-methoxybenzenesulfonamide is CCCC(C)(O)CNS(=O)(=O)c1ccc(OC)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(2-hydroxy-2-methylpentyl)-4-methoxybenzenesulfonamide?
The InChIKey is LOOQSNTUFSPKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO4S/c1-4-7-13(2,16)9-15-20(17,18)10-5-6-12(19-3)11(14)8-10/h5-6,8,15-16H,4,7,9H2,1-3H3.
What are the key properties of 3-chloro-N-(2-hydroxy-2-methylpentyl)-4-methoxybenzenesulfonamide?
3-chloro-N-(2-hydroxy-2-methylpentyl)-4-methoxybenzenesulfonamide has a molecular weight of 321.83 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-hydroxy-2-methylpentyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 103835335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).