4-butyl-N-(2-phenylsulfanylphenyl)benzenesulfonamide

C22H23NO2S2 — CID 22202239

IUPAC4-butyl-N-(2-phenylsulfanylphenyl)benzenesulfonamide
SMILESCCCCc1ccc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)cc1
InChIInChI=1S/C22H23NO2S2/c1-2-3-9-18-14-16-20(17-15-18)27(24,25)23-21-12-7-8-13-22(21)26-19-10-5-4-6-11-19/h4-8,10-17,23H,2-3,9H2,1H3
InChIKeyMYKQJRPDVFHKLT-UHFFFAOYSA-N
MW397.57 g/mol
LogP5.98
Rot. Bonds8

About 4-butyl-N-(2-phenylsulfanylphenyl)benzenesulfonamide

4-butyl-N-(2-phenylsulfanylphenyl)benzenesulfonamide (PubChem CID 22202239) has the molecular formula C22H23NO2S2 and a molecular weight of 397.57 g/mol. Its IUPAC name is 4-butyl-N-(2-phenylsulfanylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-butyl-N-(2-phenylsulfanylphenyl)benzenesulfonamide
PubChem CID22202239
Molecular FormulaC22H23NO2S2
Molecular Weight397.57 g/mol
Exact Mass397.12
IUPAC Name4-butyl-N-(2-phenylsulfanylphenyl)benzenesulfonamide
SMILESCCCCc1ccc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)cc1
InChIInChI=1S/C22H23NO2S2/c1-2-3-9-18-14-16-20(17-15-18)27(24,25)23-21-12-7-8-13-22(21)26-19-10-5-4-6-11-19/h4-8,10-17,23H,2-3,9H2,1H3
InChIKeyMYKQJRPDVFHKLT-UHFFFAOYSA-N
XLogP5.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.57
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-butyl-N-(2-phenylsulfanylphenyl)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

1-N-methyl-4-N-(2-phenylsulfanylphenyl)benzene-1,4-disulfonamide
CID 25331209
4-butyl-N-(2-butylphenyl)benzenesulfonamide
CID 22774370
N-[2-(4-chlorophenyl)sulfanylphenyl]-4-ethylbenzenesulfonamide
CID 22202182
4-chloro-N-(2-phenylsulfanylphenyl)benzenesulfonamide
CID 2211474
4-fluoro-N-(2-phenylsulfanylphenyl)benzenesulfonamide
CID 2207449
N-[4-[(2-phenylsulfanylphenyl)sulfamoyl]phenyl]acetamide
CID 2207163
4-cyano-N-(2-phenylsulfanylphenyl)benzenesulfonamide
CID 4584042
2-[(4-butylphenyl)sulfonylamino]benzamide
CID 3869387
N-(2-phenylsulfanylphenyl)naphthalene-2-sulfonamide
CID 5025961
N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-4-propylbenzenesulfonamide
CID 17477746
4-hexyl-N-(2-propan-2-yloxyphenyl)benzenesulfonamide
CID 84552349
N-[2-(4-chlorophenyl)sulfanylphenyl]-4-methylbenzenesulfonamide
CID 22202175

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(2-phenylsulfanylphenyl)benzenesulfonamide?
The IUPAC name of 4-butyl-N-(2-phenylsulfanylphenyl)benzenesulfonamide (CID 22202239) is 4-butyl-N-(2-phenylsulfanylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-butyl-N-(2-phenylsulfanylphenyl)benzenesulfonamide?
The canonical SMILES for 4-butyl-N-(2-phenylsulfanylphenyl)benzenesulfonamide is CCCCc1ccc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)cc1.
What is the InChIKey of 4-butyl-N-(2-phenylsulfanylphenyl)benzenesulfonamide?
The InChIKey is MYKQJRPDVFHKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2S2/c1-2-3-9-18-14-16-20(17-15-18)27(24,25)23-21-12-7-8-13-22(21)26-19-10-5-4-6-11-19/h4-8,10-17,23H,2-3,9H2,1H3.
What are the key properties of 4-butyl-N-(2-phenylsulfanylphenyl)benzenesulfonamide?
4-butyl-N-(2-phenylsulfanylphenyl)benzenesulfonamide has a molecular weight of 397.57 g/mol, XLogP of 5.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(2-phenylsulfanylphenyl)benzenesulfonamide is sourced from PubChem (CID 22202239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).