4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzenesulfonamide

C13H13BrClNO2S2 — CID 9301903

IUPAC4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzenesulfonamide
SMILESCCN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C13H13BrClNO2S2/c1-2-16(9-11-5-8-13(15)19-11)20(17,18)12-6-3-10(14)4-7-12/h3-8H,2,9H2,1H3
InChIKeyWGXZKYQKNOKNQQ-UHFFFAOYSA-N
MW394.74 g/mol
LogP4.37
Rot. Bonds5

About 4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzenesulfonamide

4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzenesulfonamide (PubChem CID 9301903) has the molecular formula C13H13BrClNO2S2 and a molecular weight of 394.74 g/mol. Its IUPAC name is 4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzenesulfonamide
PubChem CID9301903
Molecular FormulaC13H13BrClNO2S2
Molecular Weight394.74 g/mol
Exact Mass392.93
IUPAC Name4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzenesulfonamide
SMILESCCN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C13H13BrClNO2S2/c1-2-16(9-11-5-8-13(15)19-11)20(17,18)12-6-3-10(14)4-7-12/h3-8H,2,9H2,1H3
InChIKeyWGXZKYQKNOKNQQ-UHFFFAOYSA-N
XLogP4.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.74
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzenesulfonamide 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-amino-4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzenesulfonamide
CID 63402190
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3,4-dimethoxybenzenesulfonamide
CID 9301957
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-methylsulfonylbenzenesulfonamide
CID 134002462
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-4-methyl-3-nitrobenzenesulfonamide
CID 9301949
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzenesulfonamide
CID 61126736
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylethanesulfonamide
CID 107650976
4-[4-(5-chlorothiophen-2-yl)butan-2-yl]-N,N-diethylbenzenesulfonamide
CID 152973851
5-[(5-chlorothiophen-2-yl)methyl-ethylsulfamoyl]furan-2-carboxylic acid
CID 60954031
4-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-3-methylbenzenesulfonamide
CID 60652378
4-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzenesulfonamide
CID 54978657
4-bromo-N-ethyl-N-(2-methylpropyl)benzenesulfonamide
CID 60765605
N-[4-[(5-chlorothiophen-2-yl)methyl-prop-2-enylsulfamoyl]phenyl]acetamide
CID 9302371

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzenesulfonamide (CID 9301903) is 4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzenesulfonamide is CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzenesulfonamide?
The InChIKey is WGXZKYQKNOKNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClNO2S2/c1-2-16(9-11-5-8-13(15)19-11)20(17,18)12-6-3-10(14)4-7-12/h3-8H,2,9H2,1H3.
What are the key properties of 4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzenesulfonamide?
4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzenesulfonamide has a molecular weight of 394.74 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzenesulfonamide is sourced from PubChem (CID 9301903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).