4-fluoro-2-methyl-N-[3-(3-methylphenyl)propyl]benzenesulfonamide

C17H20FNO2S — CID 84505251

IUPAC4-fluoro-2-methyl-N-[3-(3-methylphenyl)propyl]benzenesulfonamide
SMILESCc1cccc(CCCNS(=O)(=O)c2ccc(F)cc2C)c1
InChIInChI=1S/C17H20FNO2S/c1-13-5-3-6-15(11-13)7-4-10-19-22(20,21)17-9-8-16(18)12-14(17)2/h3,5-6,8-9,11-12,19H,4,7,10H2,1-2H3
InChIKeyWIZRJCKGLBDQAI-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.35
Rot. Bonds6

About 4-fluoro-2-methyl-N-[3-(3-methylphenyl)propyl]benzenesulfonamide

4-fluoro-2-methyl-N-[3-(3-methylphenyl)propyl]benzenesulfonamide (PubChem CID 84505251) has the molecular formula C17H20FNO2S and a molecular weight of 321.42 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[3-(3-methylphenyl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[3-(3-methylphenyl)propyl]benzenesulfonamide
PubChem CID84505251
Molecular FormulaC17H20FNO2S
Molecular Weight321.42 g/mol
Exact Mass321.12
IUPAC Name4-fluoro-2-methyl-N-[3-(3-methylphenyl)propyl]benzenesulfonamide
SMILESCc1cccc(CCCNS(=O)(=O)c2ccc(F)cc2C)c1
InChIInChI=1S/C17H20FNO2S/c1-13-5-3-6-15(11-13)7-4-10-19-22(20,21)17-9-8-16(18)12-14(17)2/h3,5-6,8-9,11-12,19H,4,7,10H2,1-2H3
InChIKeyWIZRJCKGLBDQAI-UHFFFAOYSA-N
XLogP3.35
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-fluoro-2-methyl-N-[3-(3-methylphenyl)propyl]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-fluoro-2-methyl-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]benzenesulfonamide
CID 100690360
4-fluoro-N-(4-iodobutyl)-2-methylbenzenesulfonamide
CID 106846623
2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide
CID 112994823
N-(6-chlorohexyl)-4-fluoro-2-methylbenzenesulfonamide
CID 114008823
2,5-dimethyl-N-(3-phenylpropyl)benzenesulfonamide
CID 2439946
2,5-difluoro-N-(3-phenylpropyl)benzenesulfonamide
CID 19680937
2-bromo-4-fluoro-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 47264299
N-(3-azidopropyl)-4-fluoro-2-methylbenzenesulfonamide
CID 61343636
4-fluoro-2-methyl-N-[3-(N-methylanilino)propyl]benzenesulfonamide
CID 46534961
2,5-difluoro-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 47155184
2-bromo-4-methyl-N-(3-phenylpropyl)benzenesulfonamide
CID 55573437
4-fluoro-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide
CID 110787563

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-[3-(3-methylphenyl)propyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N-[3-(3-methylphenyl)propyl]benzenesulfonamide (CID 84505251) is 4-fluoro-2-methyl-N-[3-(3-methylphenyl)propyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-[3-(3-methylphenyl)propyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N-[3-(3-methylphenyl)propyl]benzenesulfonamide is Cc1cccc(CCCNS(=O)(=O)c2ccc(F)cc2C)c1.
What is the InChIKey of 4-fluoro-2-methyl-N-[3-(3-methylphenyl)propyl]benzenesulfonamide?
The InChIKey is WIZRJCKGLBDQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2S/c1-13-5-3-6-15(11-13)7-4-10-19-22(20,21)17-9-8-16(18)12-14(17)2/h3,5-6,8-9,11-12,19H,4,7,10H2,1-2H3.
What are the key properties of 4-fluoro-2-methyl-N-[3-(3-methylphenyl)propyl]benzenesulfonamide?
4-fluoro-2-methyl-N-[3-(3-methylphenyl)propyl]benzenesulfonamide has a molecular weight of 321.42 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-[3-(3-methylphenyl)propyl]benzenesulfonamide is sourced from PubChem (CID 84505251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).