5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-4-methylthiophene-2-sulfonamide

C13H12BrCl2NO2S2 — CID 79998802

IUPAC5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NC(C)c2ccc(Cl)c(Cl)c2)sc1Br
InChIInChI=1S/C13H12BrCl2NO2S2/c1-7-5-12(20-13(7)14)21(18,19)17-8(2)9-3-4-10(15)11(16)6-9/h3-6,8,17H,1-2H3
InChIKeyMLNUBKBEJUQKET-UHFFFAOYSA-N
MW429.19 g/mol
LogP5.17
Rot. Bonds4

About 5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-4-methylthiophene-2-sulfonamide

5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-4-methylthiophene-2-sulfonamide (PubChem CID 79998802) has the molecular formula C13H12BrCl2NO2S2 and a molecular weight of 429.19 g/mol. Its IUPAC name is 5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-4-methylthiophene-2-sulfonamide
PubChem CID79998802
Molecular FormulaC13H12BrCl2NO2S2
Molecular Weight429.19 g/mol
Exact Mass426.89
IUPAC Name5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NC(C)c2ccc(Cl)c(Cl)c2)sc1Br
InChIInChI=1S/C13H12BrCl2NO2S2/c1-7-5-12(20-13(7)14)21(18,19)17-8(2)9-3-4-10(15)11(16)6-9/h3-6,8,17H,1-2H3
InChIKeyMLNUBKBEJUQKET-UHFFFAOYSA-N
XLogP5.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.19
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-4-methylthiophene-2-sulfonamide 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

5-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-4-chlorothiophene-2-sulfonamide
CID 107868984
5-bromo-4-chloro-N-[1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide
CID 80580119
5-bromo-4-chloro-N-[(1S)-1-phenylethyl]thiophene-2-sulfonamide
CID 114010398
5-bromo-4-methyl-N-(1-pyridin-2-ylethyl)thiophene-2-sulfonamide
CID 79932663
5-bromo-N-but-3-en-2-yl-4-methylthiophene-2-sulfonamide
CID 115692248
2-bromo-N-[1-(3,4-dichlorophenyl)ethyl]benzenesulfonamide
CID 42913006
5-bromo-4-chloro-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide
CID 80578485
5-bromo-N-[1-(2-methoxyphenyl)ethyl]-4-methylthiophene-2-sulfonamide
CID 79918576
5-bromo-4-methyl-N-[4-[1-(methylamino)ethyl]phenyl]thiophene-2-sulfonamide
CID 79997910
5-bromo-N-(1-hydroxypropan-2-yl)-4-methylthiophene-2-sulfonamide
CID 79988466
1,2-dichloro-4-[1-(sulfamoylamino)ethyl]benzene
CID 112684116
5-bromo-4-methyl-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
CID 79994653

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-4-methylthiophene-2-sulfonamide (CID 79998802) is 5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-4-methylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)NC(C)c2ccc(Cl)c(Cl)c2)sc1Br.
What is the InChIKey of 5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-4-methylthiophene-2-sulfonamide?
The InChIKey is MLNUBKBEJUQKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrCl2NO2S2/c1-7-5-12(20-13(7)14)21(18,19)17-8(2)9-3-4-10(15)11(16)6-9/h3-6,8,17H,1-2H3.
What are the key properties of 5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-4-methylthiophene-2-sulfonamide?
5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-4-methylthiophene-2-sulfonamide has a molecular weight of 429.19 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 79998802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).