2,3-dichloro-N-(3-hydroxybutyl)benzenesulfonamide

C10H13Cl2NO3S — CID 64912476

IUPAC2,3-dichloro-N-(3-hydroxybutyl)benzenesulfonamide
SMILESCC(O)CCNS(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C10H13Cl2NO3S/c1-7(14)5-6-13-17(15,16)9-4-2-3-8(11)10(9)12/h2-4,7,13-14H,5-6H2,1H3
InChIKeyZONCZUGRTJAWFP-UHFFFAOYSA-N
MW298.19 g/mol
LogP2.04
Rot. Bonds5

About 2,3-dichloro-N-(3-hydroxybutyl)benzenesulfonamide

2,3-dichloro-N-(3-hydroxybutyl)benzenesulfonamide (PubChem CID 64912476) has the molecular formula C10H13Cl2NO3S and a molecular weight of 298.19 g/mol. Its IUPAC name is 2,3-dichloro-N-(3-hydroxybutyl)benzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-N-(3-hydroxybutyl)benzenesulfonamide
PubChem CID64912476
Molecular FormulaC10H13Cl2NO3S
Molecular Weight298.19 g/mol
Exact Mass297.00
IUPAC Name2,3-dichloro-N-(3-hydroxybutyl)benzenesulfonamide
SMILESCC(O)CCNS(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C10H13Cl2NO3S/c1-7(14)5-6-13-17(15,16)9-4-2-3-8(11)10(9)12/h2-4,7,13-14H,5-6H2,1H3
InChIKeyZONCZUGRTJAWFP-UHFFFAOYSA-N
XLogP2.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.19
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,3-dichloro-N-(3-hydroxybutyl)benzenesulfonamide 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

2,3-dichloro-N-(4-hydroxypentyl)benzenesulfonamide
CID 107271143
2,3-dichloro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 83030309
2-amino-N-(3-hydroxybutyl)benzenesulfonamide
CID 64929991
2-chloro-N-(3-hydroxybutyl)-3-methylquinoline-8-sulfonamide
CID 83173175
2-chloro-N-(3-hydroxy-4,4-dimethylpentyl)benzenesulfonamide
CID 90523486
4-chloro-N-(3-hydroxybutyl)-2-methylbenzenesulfonamide
CID 64913110
N-(3-hydroxybutyl)-2-(trifluoromethyl)benzenesulfonamide
CID 64911010
1-(2-chlorophenyl)-N-(3-hydroxybutyl)methanesulfonamide
CID 111977012
N-(3-aminobutyl)-3-chloro-2-fluorobenzenesulfonamide
CID 63251282
N-(3-hydroxybutyl)isoquinoline-5-sulfonamide
CID 64910604
2,3-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 8716586
2-[[(2,3-dichlorophenyl)sulfonylamino]methyl]butanoic acid
CID 65222532

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(3-hydroxybutyl)benzenesulfonamide?
The IUPAC name of 2,3-dichloro-N-(3-hydroxybutyl)benzenesulfonamide (CID 64912476) is 2,3-dichloro-N-(3-hydroxybutyl)benzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-N-(3-hydroxybutyl)benzenesulfonamide?
The canonical SMILES for 2,3-dichloro-N-(3-hydroxybutyl)benzenesulfonamide is CC(O)CCNS(=O)(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-(3-hydroxybutyl)benzenesulfonamide?
The InChIKey is ZONCZUGRTJAWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO3S/c1-7(14)5-6-13-17(15,16)9-4-2-3-8(11)10(9)12/h2-4,7,13-14H,5-6H2,1H3.
What are the key properties of 2,3-dichloro-N-(3-hydroxybutyl)benzenesulfonamide?
2,3-dichloro-N-(3-hydroxybutyl)benzenesulfonamide has a molecular weight of 298.19 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-(3-hydroxybutyl)benzenesulfonamide is sourced from PubChem (CID 64912476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).