4-bromo-2-chloro-N-(4-ethoxyphenyl)benzenesulfonamide

C14H13BrClNO3S — CID 7510434

IUPAC4-bromo-2-chloro-N-(4-ethoxyphenyl)benzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C14H13BrClNO3S/c1-2-20-12-6-4-11(5-7-12)17-21(18,19)14-8-3-10(15)9-13(14)16/h3-9,17H,2H2,1H3
InChIKeyMVBZXBRROXSQPF-UHFFFAOYSA-N
MW390.69 g/mol
LogP4.30
Rot. Bonds5

About 4-bromo-2-chloro-N-(4-ethoxyphenyl)benzenesulfonamide

4-bromo-2-chloro-N-(4-ethoxyphenyl)benzenesulfonamide (PubChem CID 7510434) has the molecular formula C14H13BrClNO3S and a molecular weight of 390.69 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(4-ethoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(4-ethoxyphenyl)benzenesulfonamide
PubChem CID7510434
Molecular FormulaC14H13BrClNO3S
Molecular Weight390.69 g/mol
Exact Mass388.95
IUPAC Name4-bromo-2-chloro-N-(4-ethoxyphenyl)benzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C14H13BrClNO3S/c1-2-20-12-6-4-11(5-7-12)17-21(18,19)14-8-3-10(15)9-13(14)16/h3-9,17H,2H2,1H3
InChIKeyMVBZXBRROXSQPF-UHFFFAOYSA-N
XLogP4.30
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.69
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-bromo-2-chloro-N-(4-ethoxyphenyl)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

methyl 5-bromo-2-[(4-ethoxyphenyl)sulfamoyl]benzoate
CID 55353268
4-bromo-N-(4-butoxyphenyl)-2-methylbenzenesulfonamide
CID 2840140
4-bromo-2-chloro-N-(3,5-dimethoxyphenyl)benzenesulfonamide
CID 7939100
methyl 4-[(4-bromo-2-chlorophenyl)sulfonylamino]benzoate
CID 7938713
N-(4-acetylphenyl)-4-bromo-2-chlorobenzenesulfonamide
CID 7510419
2-chloro-N-[4-(cyanomethoxy)phenyl]-4-methylbenzenesulfonamide
CID 32675605
2,4-dibromo-N-(3-ethoxyphenyl)benzenesulfonamide
CID 61062492
2-chloro-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 32672944
4-bromo-2-chloro-N-[3-chloro-4-(methanesulfonamido)phenyl]benzenesulfonamide
CID 35545610
4-bromo-2-chloro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 64794050
4-bromo-2-chloro-N-(2,4-dimethoxyphenyl)benzenesulfonamide
CID 7514398
5-bromo-2-ethoxy-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 7938973

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(4-ethoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-(4-ethoxyphenyl)benzenesulfonamide (CID 7510434) is 4-bromo-2-chloro-N-(4-ethoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-(4-ethoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-(4-ethoxyphenyl)benzenesulfonamide is CCOc1ccc(NS(=O)(=O)c2ccc(Br)cc2Cl)cc1.
What is the InChIKey of 4-bromo-2-chloro-N-(4-ethoxyphenyl)benzenesulfonamide?
The InChIKey is MVBZXBRROXSQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO3S/c1-2-20-12-6-4-11(5-7-12)17-21(18,19)14-8-3-10(15)9-13(14)16/h3-9,17H,2H2,1H3.
What are the key properties of 4-bromo-2-chloro-N-(4-ethoxyphenyl)benzenesulfonamide?
4-bromo-2-chloro-N-(4-ethoxyphenyl)benzenesulfonamide has a molecular weight of 390.69 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-(4-ethoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 7510434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).