4-bromo-2-chloro-N-(1-hydroxybutan-2-yl)-5-methylbenzenesulfonamide

C11H15BrClNO3S — CID 47071436

IUPAC4-bromo-2-chloro-N-(1-hydroxybutan-2-yl)-5-methylbenzenesulfonamide
SMILESCCC(CO)NS(=O)(=O)c1cc(C)c(Br)cc1Cl
InChIInChI=1S/C11H15BrClNO3S/c1-3-8(6-15)14-18(16,17)11-4-7(2)9(12)5-10(11)13/h4-5,8,14-15H,3,6H2,1-2H3
InChIKeyDNERKHCJTMVUDO-UHFFFAOYSA-N
MW356.67 g/mol
LogP2.46
Rot. Bonds5

About 4-bromo-2-chloro-N-(1-hydroxybutan-2-yl)-5-methylbenzenesulfonamide

4-bromo-2-chloro-N-(1-hydroxybutan-2-yl)-5-methylbenzenesulfonamide (PubChem CID 47071436) has the molecular formula C11H15BrClNO3S and a molecular weight of 356.67 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(1-hydroxybutan-2-yl)-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(1-hydroxybutan-2-yl)-5-methylbenzenesulfonamide
PubChem CID47071436
Molecular FormulaC11H15BrClNO3S
Molecular Weight356.67 g/mol
Exact Mass354.96
IUPAC Name4-bromo-2-chloro-N-(1-hydroxybutan-2-yl)-5-methylbenzenesulfonamide
SMILESCCC(CO)NS(=O)(=O)c1cc(C)c(Br)cc1Cl
InChIInChI=1S/C11H15BrClNO3S/c1-3-8(6-15)14-18(16,17)11-4-7(2)9(12)5-10(11)13/h4-5,8,14-15H,3,6H2,1-2H3
InChIKeyDNERKHCJTMVUDO-UHFFFAOYSA-N
XLogP2.46
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.67
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-bromo-2-chloro-N-(1-hydroxybutan-2-yl)-5-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(1-hydroxybutan-2-yl)-5-methylbenzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-(1-hydroxybutan-2-yl)-5-methylbenzenesulfonamide (CID 47071436) is 4-bromo-2-chloro-N-(1-hydroxybutan-2-yl)-5-methylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-(1-hydroxybutan-2-yl)-5-methylbenzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-(1-hydroxybutan-2-yl)-5-methylbenzenesulfonamide is CCC(CO)NS(=O)(=O)c1cc(C)c(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-(1-hydroxybutan-2-yl)-5-methylbenzenesulfonamide?
The InChIKey is DNERKHCJTMVUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClNO3S/c1-3-8(6-15)14-18(16,17)11-4-7(2)9(12)5-10(11)13/h4-5,8,14-15H,3,6H2,1-2H3.
What are the key properties of 4-bromo-2-chloro-N-(1-hydroxybutan-2-yl)-5-methylbenzenesulfonamide?
4-bromo-2-chloro-N-(1-hydroxybutan-2-yl)-5-methylbenzenesulfonamide has a molecular weight of 356.67 g/mol, XLogP of 2.46, 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)-5-methylbenzenesulfonamide is sourced from PubChem (CID 47071436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).