3-acetyl-N-(4-fluoro-3-methylphenyl)benzenesulfonamide

C15H14FNO3S — CID 62813585

IUPAC3-acetyl-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)c(C)c2)c1
InChIInChI=1S/C15H14FNO3S/c1-10-8-13(6-7-15(10)16)17-21(19,20)14-5-3-4-12(9-14)11(2)18/h3-9,17H,1-2H3
InChIKeyIXEDZLHMXLNALW-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.14
Rot. Bonds4

About 3-acetyl-N-(4-fluoro-3-methylphenyl)benzenesulfonamide

3-acetyl-N-(4-fluoro-3-methylphenyl)benzenesulfonamide (PubChem CID 62813585) has the molecular formula C15H14FNO3S and a molecular weight of 307.35 g/mol. Its IUPAC name is 3-acetyl-N-(4-fluoro-3-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
PubChem CID62813585
Molecular FormulaC15H14FNO3S
Molecular Weight307.35 g/mol
Exact Mass307.07
IUPAC Name3-acetyl-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)c(C)c2)c1
InChIInChI=1S/C15H14FNO3S/c1-10-8-13(6-7-15(10)16)17-21(19,20)14-5-3-4-12(9-14)11(2)18/h3-9,17H,1-2H3
InChIKeyIXEDZLHMXLNALW-UHFFFAOYSA-N
XLogP3.14
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-fluoro-3-methylphenyl)sulfamoyl]benzenecarbothioamide
CID 62812524
3-acetyl-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
CID 103775761
3-acetyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 2486497
3-acetyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 26970291
4-[(4-fluoro-3-methylphenyl)sulfamoyl]benzoic acid
CID 62811238
3-acetyl-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 26951365
3-acetyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 35548707
3-acetyl-N-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 8504652
N-[4-[(3-acetylphenyl)sulfonylamino]phenyl]-2-methylpropanamide
CID 26965624
3-acetyl-N-(2,3-difluorophenyl)benzenesulfonamide
CID 51089499
3-acetyl-N-(4-amino-3-chlorophenyl)benzenesulfonamide
CID 43604435
ethyl 3-[(4-fluoro-3-methylphenyl)sulfonylamino]benzoate
CID 100694632

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-(4-fluoro-3-methylphenyl)benzenesulfonamide?
The IUPAC name of 3-acetyl-N-(4-fluoro-3-methylphenyl)benzenesulfonamide (CID 62813585) is 3-acetyl-N-(4-fluoro-3-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-(4-fluoro-3-methylphenyl)benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-(4-fluoro-3-methylphenyl)benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)c(C)c2)c1.
What is the InChIKey of 3-acetyl-N-(4-fluoro-3-methylphenyl)benzenesulfonamide?
The InChIKey is IXEDZLHMXLNALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3S/c1-10-8-13(6-7-15(10)16)17-21(19,20)14-5-3-4-12(9-14)11(2)18/h3-9,17H,1-2H3.
What are the key properties of 3-acetyl-N-(4-fluoro-3-methylphenyl)benzenesulfonamide?
3-acetyl-N-(4-fluoro-3-methylphenyl)benzenesulfonamide has a molecular weight of 307.35 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-(4-fluoro-3-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 62813585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).