4-fluoro-3-methyl-N-[4-(1-phenylethylamino)phenyl]benzenesulfonamide

C21H21FN2O2S — CID 112982261

IUPAC4-fluoro-3-methyl-N-[4-(1-phenylethylamino)phenyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(NC(C)c3ccccc3)cc2)ccc1F
InChIInChI=1S/C21H21FN2O2S/c1-15-14-20(12-13-21(15)22)27(25,26)24-19-10-8-18(9-11-19)23-16(2)17-6-4-3-5-7-17/h3-14,16,23-24H,1-2H3
InChIKeyRGLGXBBKPXFRKT-UHFFFAOYSA-N
MW384.48 g/mol
LogP5.11
Rot. Bonds6

About 4-fluoro-3-methyl-N-[4-(1-phenylethylamino)phenyl]benzenesulfonamide

4-fluoro-3-methyl-N-[4-(1-phenylethylamino)phenyl]benzenesulfonamide (PubChem CID 112982261) has the molecular formula C21H21FN2O2S and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-[4-(1-phenylethylamino)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-[4-(1-phenylethylamino)phenyl]benzenesulfonamide
PubChem CID112982261
Molecular FormulaC21H21FN2O2S
Molecular Weight384.48 g/mol
Exact Mass384.13
IUPAC Name4-fluoro-3-methyl-N-[4-(1-phenylethylamino)phenyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(NC(C)c3ccccc3)cc2)ccc1F
InChIInChI=1S/C21H21FN2O2S/c1-15-14-20(12-13-21(15)22)27(25,26)24-19-10-8-18(9-11-19)23-16(2)17-6-4-3-5-7-17/h3-14,16,23-24H,1-2H3
InChIKeyRGLGXBBKPXFRKT-UHFFFAOYSA-N
XLogP5.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-2-phenylethyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide
CID 24818233
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(1-phenylethyl)acetamide
CID 112992360
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(1-pyridin-4-ylethyl)benzamide
CID 46512688
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(1-phenylethyl)benzamide
CID 46522983
N-(2,6-dimethylphenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 56737871
N-[4-(cyclopentylamino)phenyl]-4-fluoro-3-methylbenzenesulfonamide
CID 112980658
N-[4-(diethylsulfamoyl)phenyl]-4-fluoro-3-methylbenzenesulfonamide
CID 100694437
2-(1-phenylethylamino)-5-(phenylsulfamoyl)benzoic acid
CID 133144406
N-[4-(2-cyanoanilino)phenyl]-4-fluoro-3-methylbenzenesulfonamide
CID 112989896
4-fluoro-3-methyl-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide
CID 110724965
4-fluoro-N-[4-[(4-fluorophenyl)methylamino]phenyl]-3-methylbenzenesulfonamide
CID 112982509
N-(3,4-difluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 22773464

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-[4-(1-phenylethylamino)phenyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methyl-N-[4-(1-phenylethylamino)phenyl]benzenesulfonamide (CID 112982261) is 4-fluoro-3-methyl-N-[4-(1-phenylethylamino)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-[4-(1-phenylethylamino)phenyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methyl-N-[4-(1-phenylethylamino)phenyl]benzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccc(NC(C)c3ccccc3)cc2)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-[4-(1-phenylethylamino)phenyl]benzenesulfonamide?
The InChIKey is RGLGXBBKPXFRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2S/c1-15-14-20(12-13-21(15)22)27(25,26)24-19-10-8-18(9-11-19)23-16(2)17-6-4-3-5-7-17/h3-14,16,23-24H,1-2H3.
What are the key properties of 4-fluoro-3-methyl-N-[4-(1-phenylethylamino)phenyl]benzenesulfonamide?
4-fluoro-3-methyl-N-[4-(1-phenylethylamino)phenyl]benzenesulfonamide has a molecular weight of 384.48 g/mol, XLogP of 5.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-[4-(1-phenylethylamino)phenyl]benzenesulfonamide is sourced from PubChem (CID 112982261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).