N-(3-fluoro-4-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide

C17H18FNO3S — CID 9216116

IUPACN-(3-fluoro-4-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(C)c(F)c2)cc1
InChIInChI=1S/C17H18FNO3S/c1-12-3-7-15(8-4-12)23(21,22)10-9-17(20)19-14-6-5-13(2)16(18)11-14/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKeyIHCSWPQREMRJDJ-UHFFFAOYSA-N
MW335.40 g/mol
LogP3.25
Rot. Bonds5

About N-(3-fluoro-4-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide

N-(3-fluoro-4-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide (PubChem CID 9216116) has the molecular formula C17H18FNO3S and a molecular weight of 335.40 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide
PubChem CID9216116
Molecular FormulaC17H18FNO3S
Molecular Weight335.40 g/mol
Exact Mass335.10
IUPAC NameN-(3-fluoro-4-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(C)c(F)c2)cc1
InChIInChI=1S/C17H18FNO3S/c1-12-3-7-15(8-4-12)23(21,22)10-9-17(20)19-14-6-5-13(2)16(18)11-14/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKeyIHCSWPQREMRJDJ-UHFFFAOYSA-N
XLogP3.25
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-fluoro-4-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide 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

N-(3-fluoro-4-methylphenyl)-3-[(3-oxo-4H-1,4-benzothiazin-7-yl)sulfonyl]propanamide
CID 126459573
N-(2,5-dimethylphenyl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 8702322
N-(4-methylphenyl)-4-(4-methylphenyl)sulfonylbutanamide
CID 12559254
3-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)propanamide
CID 8961396
N-(3-methyl-2-oxo-1H-quinolin-7-yl)-3-(4-methylphenyl)sulfonylpropanamide
CID 110425693
N-(1-benzothiophen-5-yl)-3-(4-methylphenyl)sulfonylpropanamide
CID 7544104
3-(4-acetamidophenyl)sulfonyl-N-(4-fluorophenyl)propanamide
CID 110420356
N-(3-methoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 3421684
N-[4-(difluoromethylsulfanyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 8701315
3-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)propanamide
CID 17310097
methyl 3-[3-(4-methylphenyl)sulfonylpropanoylamino]benzoate
CID 110294957
3-(4-acetamidophenyl)sulfonyl-N-(2,4,6-trimethylphenyl)propanamide
CID 110419509

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide (CID 9216116) is N-(3-fluoro-4-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide is Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(C)c(F)c2)cc1.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide?
The InChIKey is IHCSWPQREMRJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3S/c1-12-3-7-15(8-4-12)23(21,22)10-9-17(20)19-14-6-5-13(2)16(18)11-14/h3-8,11H,9-10H2,1-2H3,(H,19,20).
What are the key properties of N-(3-fluoro-4-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide?
N-(3-fluoro-4-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide has a molecular weight of 335.40 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 9216116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).