4-chloro-N-(3-hydroxypropyl)-N-propan-2-ylbenzenesulfonamide

C12H18ClNO3S — CID 54916437

IUPAC4-chloro-N-(3-hydroxypropyl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(CCCO)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H18ClNO3S/c1-10(2)14(8-3-9-15)18(16,17)12-6-4-11(13)5-7-12/h4-7,10,15H,3,8-9H2,1-2H3
InChIKeyRBEYFQYWMBXSCA-UHFFFAOYSA-N
MW291.80 g/mol
LogP2.12
Rot. Bonds6

About 4-chloro-N-(3-hydroxypropyl)-N-propan-2-ylbenzenesulfonamide

4-chloro-N-(3-hydroxypropyl)-N-propan-2-ylbenzenesulfonamide (PubChem CID 54916437) has the molecular formula C12H18ClNO3S and a molecular weight of 291.80 g/mol. Its IUPAC name is 4-chloro-N-(3-hydroxypropyl)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(3-hydroxypropyl)-N-propan-2-ylbenzenesulfonamide
PubChem CID54916437
Molecular FormulaC12H18ClNO3S
Molecular Weight291.80 g/mol
Exact Mass291.07
IUPAC Name4-chloro-N-(3-hydroxypropyl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(CCCO)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H18ClNO3S/c1-10(2)14(8-3-9-15)18(16,17)12-6-4-11(13)5-7-12/h4-7,10,15H,3,8-9H2,1-2H3
InChIKeyRBEYFQYWMBXSCA-UHFFFAOYSA-N
XLogP2.12
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-(3-hydroxypropyl)-N-propan-2-ylbenzenesulfonamide 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

N-(3-hydroxypropyl)-4-methyl-N-propan-2-ylbenzenesulfonamide
CID 54916389
4-[(4-chlorophenyl)sulfonyl-propan-2-ylamino]butanoic acid
CID 60829614
4-amino-3-chloro-N-(3-hydroxypropyl)-N-propan-2-ylbenzenesulfonamide
CID 115329913
4-cyano-N-(3-hydroxypropyl)-3-methyl-N-propan-2-ylbenzenesulfonamide
CID 106919760
6-amino-5-chloro-N-(3-hydroxypropyl)-N-propan-2-ylpyridine-3-sulfonamide
CID 64599948
4-chloro-N-(1-hydroxy-4-methylpentan-2-yl)-N-(3-methylbutyl)benzenesulfonamide
CID 67368466
3-chloro-2-fluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzenesulfonamide
CID 54916249
N-[(2R)-butan-2-yl]-4-chloro-N-(3-phenylpropyl)benzenesulfonamide
CID 67367150
2-chloro-N-(3-hydroxypropyl)-N-propan-2-yl-1,3-thiazole-5-sulfonamide
CID 61047095
3-amino-5-fluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzenesulfonamide
CID 55205685
2,5-dichloro-N-(3-hydroxypropyl)-3,6-dimethyl-N-propan-2-ylbenzenesulfonamide
CID 61039183
3,4-dichloro-N-(3-chloropropyl)-N-propan-2-ylbenzenesulfonamide
CID 23323135

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-hydroxypropyl)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-(3-hydroxypropyl)-N-propan-2-ylbenzenesulfonamide (CID 54916437) is 4-chloro-N-(3-hydroxypropyl)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(3-hydroxypropyl)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-(3-hydroxypropyl)-N-propan-2-ylbenzenesulfonamide is CC(C)N(CCCO)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(3-hydroxypropyl)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is RBEYFQYWMBXSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO3S/c1-10(2)14(8-3-9-15)18(16,17)12-6-4-11(13)5-7-12/h4-7,10,15H,3,8-9H2,1-2H3.
What are the key properties of 4-chloro-N-(3-hydroxypropyl)-N-propan-2-ylbenzenesulfonamide?
4-chloro-N-(3-hydroxypropyl)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 291.80 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-hydroxypropyl)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 54916437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).