3-bromo-N-(1-chloro-3-methylbutan-2-yl)thiophene-2-sulfonamide

C9H13BrClNO2S2 — CID 79268179

IUPAC3-bromo-N-(1-chloro-3-methylbutan-2-yl)thiophene-2-sulfonamide
SMILESCC(C)C(CCl)NS(=O)(=O)c1sccc1Br
InChIInChI=1S/C9H13BrClNO2S2/c1-6(2)8(5-11)12-16(13,14)9-7(10)3-4-15-9/h3-4,6,8,12H,5H2,1-2H3
InChIKeyZPCZQVKTEGHUSJ-UHFFFAOYSA-N
MW346.70 g/mol
LogP3.05
Rot. Bonds5

About 3-bromo-N-(1-chloro-3-methylbutan-2-yl)thiophene-2-sulfonamide

3-bromo-N-(1-chloro-3-methylbutan-2-yl)thiophene-2-sulfonamide (PubChem CID 79268179) has the molecular formula C9H13BrClNO2S2 and a molecular weight of 346.70 g/mol. Its IUPAC name is 3-bromo-N-(1-chloro-3-methylbutan-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-(1-chloro-3-methylbutan-2-yl)thiophene-2-sulfonamide
PubChem CID79268179
Molecular FormulaC9H13BrClNO2S2
Molecular Weight346.70 g/mol
Exact Mass344.93
IUPAC Name3-bromo-N-(1-chloro-3-methylbutan-2-yl)thiophene-2-sulfonamide
SMILESCC(C)C(CCl)NS(=O)(=O)c1sccc1Br
InChIInChI=1S/C9H13BrClNO2S2/c1-6(2)8(5-11)12-16(13,14)9-7(10)3-4-15-9/h3-4,6,8,12H,5H2,1-2H3
InChIKeyZPCZQVKTEGHUSJ-UHFFFAOYSA-N
XLogP3.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.70
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3-bromo-N-(1-chloro-3-methylbutan-2-yl)thiophene-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

3-bromo-N-(1-cyclopropylethyl)thiophene-2-sulfonamide
CID 61073735
3-bromo-N-ethylthiophene-2-sulfonamide
CID 61072476
3-bromo-N-(2-methylpropoxy)thiophene-2-sulfonamide
CID 82715135
3-bromo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-2-sulfonamide
CID 61068595
3-bromo-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide
CID 61068284
3-bromo-N-[2-(chloromethyl)-2-ethylbutyl]thiophene-2-sulfonamide
CID 114164898
3-bromo-N-(1-phenylpropyl)thiophene-2-sulfonamide
CID 62047666
3-bromo-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide
CID 61072943
3-bromo-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide
CID 55136740
N-(2-amino-2-ethylbutyl)-3-bromothiophene-2-sulfonamide
CID 84591422
3-bromo-N-(4-bromo-2,6-dichlorophenyl)thiophene-2-sulfonamide
CID 61456465
N-[(2S)-1-aminohexan-2-yl]-3-bromothiophene-2-sulfonamide
CID 97225503

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-chloro-3-methylbutan-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-(1-chloro-3-methylbutan-2-yl)thiophene-2-sulfonamide (CID 79268179) is 3-bromo-N-(1-chloro-3-methylbutan-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-(1-chloro-3-methylbutan-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-(1-chloro-3-methylbutan-2-yl)thiophene-2-sulfonamide is CC(C)C(CCl)NS(=O)(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-(1-chloro-3-methylbutan-2-yl)thiophene-2-sulfonamide?
The InChIKey is ZPCZQVKTEGHUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrClNO2S2/c1-6(2)8(5-11)12-16(13,14)9-7(10)3-4-15-9/h3-4,6,8,12H,5H2,1-2H3.
What are the key properties of 3-bromo-N-(1-chloro-3-methylbutan-2-yl)thiophene-2-sulfonamide?
3-bromo-N-(1-chloro-3-methylbutan-2-yl)thiophene-2-sulfonamide has a molecular weight of 346.70 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1-chloro-3-methylbutan-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 79268179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).