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

C11H15BrClNO2S2 — CID 113238999

IUPAC4-bromo-2-chloro-N-(4-methylsulfanylbutyl)benzenesulfonamide
SMILESCSCCCCNS(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C11H15BrClNO2S2/c1-17-7-3-2-6-14-18(15,16)11-5-4-9(12)8-10(11)13/h4-5,8,14H,2-3,6-7H2,1H3
InChIKeyHDDHTYYLTQZILP-UHFFFAOYSA-N
MW372.74 g/mol
LogP3.52
Rot. Bonds7

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

4-bromo-2-chloro-N-(4-methylsulfanylbutyl)benzenesulfonamide (PubChem CID 113238999) has the molecular formula C11H15BrClNO2S2 and a molecular weight of 372.74 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(4-methylsulfanylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(4-methylsulfanylbutyl)benzenesulfonamide
PubChem CID113238999
Molecular FormulaC11H15BrClNO2S2
Molecular Weight372.74 g/mol
Exact Mass370.94
IUPAC Name4-bromo-2-chloro-N-(4-methylsulfanylbutyl)benzenesulfonamide
SMILESCSCCCCNS(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C11H15BrClNO2S2/c1-17-7-3-2-6-14-18(15,16)11-5-4-9(12)8-10(11)13/h4-5,8,14H,2-3,6-7H2,1H3
InChIKeyHDDHTYYLTQZILP-UHFFFAOYSA-N
XLogP3.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.74
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

4-bromo-2-fluoro-N-(5-methylsulfanylpentyl)benzenesulfonamide
CID 104922244
4-bromo-N-(3-bromopropyl)-2-chlorobenzenesulfonamide
CID 43133710
4-bromo-2-chloro-N-(4-methoxybutyl)benzenesulfonamide
CID 61073372
4-bromo-2,6-dichloro-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63961201
5-bromo-N-(4-methylsulfanylbutyl)-2-nitrobenzenesulfonamide
CID 115638728
N-(4-azidobutyl)-4-bromo-2-chlorobenzenesulfonamide
CID 106387039
5-bromo-2-methoxy-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63960993
4-bromo-2-chloro-N-(3-ethenoxypropyl)benzenesulfonamide
CID 60640063
4-(3-aminoprop-1-ynyl)-2-chloro-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63962911
4-bromo-2-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzenesulfonamide
CID 62040495
4-bromo-2-chloro-N-(3-morpholin-4-ium-4-ylpropyl)benzenesulfonamide
CID 8025065
4-bromo-2,6-dichloro-N-(4-methylsulfanylbutyl)aniline
CID 103087339

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(4-methylsulfanylbutyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-(4-methylsulfanylbutyl)benzenesulfonamide (CID 113238999) is 4-bromo-2-chloro-N-(4-methylsulfanylbutyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-(4-methylsulfanylbutyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-(4-methylsulfanylbutyl)benzenesulfonamide is CSCCCCNS(=O)(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-(4-methylsulfanylbutyl)benzenesulfonamide?
The InChIKey is HDDHTYYLTQZILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClNO2S2/c1-17-7-3-2-6-14-18(15,16)11-5-4-9(12)8-10(11)13/h4-5,8,14H,2-3,6-7H2,1H3.
What are the key properties of 4-bromo-2-chloro-N-(4-methylsulfanylbutyl)benzenesulfonamide?
4-bromo-2-chloro-N-(4-methylsulfanylbutyl)benzenesulfonamide has a molecular weight of 372.74 g/mol, XLogP of 3.52, 7 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-methylsulfanylbutyl)benzenesulfonamide is sourced from PubChem (CID 113238999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).