4-bromo-2-chloro-N-(1-hydroxybutan-2-yl)benzenesulfonamide

C10H13BrClNO3S — CID 43501727

IUPAC4-bromo-2-chloro-N-(1-hydroxybutan-2-yl)benzenesulfonamide
SMILESCCC(CO)NS(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C10H13BrClNO3S/c1-2-8(6-14)13-17(15,16)10-4-3-7(11)5-9(10)12/h3-5,8,13-14H,2,6H2,1H3
InChIKeyJRKSJRPYRYBUIH-UHFFFAOYSA-N
MW342.64 g/mol
LogP2.15
Rot. Bonds5

About 4-bromo-2-chloro-N-(1-hydroxybutan-2-yl)benzenesulfonamide

4-bromo-2-chloro-N-(1-hydroxybutan-2-yl)benzenesulfonamide (PubChem CID 43501727) has the molecular formula C10H13BrClNO3S and a molecular weight of 342.64 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(1-hydroxybutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(1-hydroxybutan-2-yl)benzenesulfonamide
PubChem CID43501727
Molecular FormulaC10H13BrClNO3S
Molecular Weight342.64 g/mol
Exact Mass340.95
IUPAC Name4-bromo-2-chloro-N-(1-hydroxybutan-2-yl)benzenesulfonamide
SMILESCCC(CO)NS(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C10H13BrClNO3S/c1-2-8(6-14)13-17(15,16)10-4-3-7(11)5-9(10)12/h3-5,8,13-14H,2,6H2,1H3
InChIKeyJRKSJRPYRYBUIH-UHFFFAOYSA-N
XLogP2.15
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.64
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-bromo-2-chloro-N-(1-hydroxybutan-2-yl)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

4-bromo-2-chloro-N-(1,3-dihydroxypropan-2-yl)benzenesulfonamide
CID 65313988
N-(1-aminobutan-2-yl)-4-bromo-2-chlorobenzenesulfonamide
CID 65193946
2,5-dibromo-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 51697632
4-bromo-2,5-dichloro-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 97310075
4-bromo-N-butan-2-yl-2-chlorobenzenesulfonamide
CID 42997510
2-[(4-bromo-2-chlorophenyl)sulfonylamino]butanethioamide
CID 61122645
methyl 2-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-hydroxypropanoate
CID 43405405
2-bromo-N-(1-hydroxybutan-2-yl)-4-methylbenzenesulfonamide
CID 43501641
2-bromo-N-[(2S)-1-hydroxybutan-2-yl]-4-methylbenzenesulfonamide
CID 93084038
N-(1-amino-4-methylpentan-2-yl)-4-bromo-2-chlorobenzenesulfonamide;hydrochloride
CID 119983138
N-(1-aminopropan-2-yl)-4-bromo-2-chlorobenzenesulfonamide
CID 63733223
4-bromo-N-(4-bromo-3-methylbutan-2-yl)-2-chlorobenzenesulfonamide
CID 113485097

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(1-hydroxybutan-2-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-(1-hydroxybutan-2-yl)benzenesulfonamide (CID 43501727) is 4-bromo-2-chloro-N-(1-hydroxybutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-(1-hydroxybutan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-(1-hydroxybutan-2-yl)benzenesulfonamide is CCC(CO)NS(=O)(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-(1-hydroxybutan-2-yl)benzenesulfonamide?
The InChIKey is JRKSJRPYRYBUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClNO3S/c1-2-8(6-14)13-17(15,16)10-4-3-7(11)5-9(10)12/h3-5,8,13-14H,2,6H2,1H3.
What are the key properties of 4-bromo-2-chloro-N-(1-hydroxybutan-2-yl)benzenesulfonamide?
4-bromo-2-chloro-N-(1-hydroxybutan-2-yl)benzenesulfonamide has a molecular weight of 342.64 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-(1-hydroxybutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 43501727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).