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

C21H20FNO3S — CID 46021847

IUPAC4-fluoro-N-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(N(Cc2ccccc2C)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H20FNO3S/c1-16-5-3-4-6-17(16)15-23(19-9-11-20(26-2)12-10-19)27(24,25)21-13-7-18(22)8-14-21/h3-14H,15H2,1-2H3
InChIKeyDUDKDDSHSSQXHW-UHFFFAOYSA-N
MW385.46 g/mol
LogP4.54
Rot. Bonds6

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

4-fluoro-N-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide (PubChem CID 46021847) has the molecular formula C21H20FNO3S and a molecular weight of 385.46 g/mol. Its IUPAC name is 4-fluoro-N-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide
PubChem CID46021847
Molecular FormulaC21H20FNO3S
Molecular Weight385.46 g/mol
Exact Mass385.11
IUPAC Name4-fluoro-N-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(N(Cc2ccccc2C)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H20FNO3S/c1-16-5-3-4-6-17(16)15-23(19-9-11-20(26-2)12-10-19)27(24,25)21-13-7-18(22)8-14-21/h3-14H,15H2,1-2H3
InChIKeyDUDKDDSHSSQXHW-UHFFFAOYSA-N
XLogP4.54
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 2231836
N-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 42841700
4-chloro-N-[(2-fluorophenyl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 46152500
N-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 35766206
N-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 46022004
N-ethyl-2-[[2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 132686444
(2S)-N-[(2R)-butan-2-yl]-2-[[2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]-[(2-methylphenyl)methyl]amino]butanamide
CID 125103667
N-(3,4-dimethoxyphenyl)-4-fluoro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 46022040
(2R)-N-cyclohexyl-2-[[2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 125057130
N-tert-butyl-2-[[2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 133146948
N-[(2,4-difluorophenyl)methyl]-4-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 46022342
N-(2-ethylphenyl)-2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 1260792

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide (CID 46021847) is 4-fluoro-N-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide is COc1ccc(N(Cc2ccccc2C)S(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-fluoro-N-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide?
The InChIKey is DUDKDDSHSSQXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO3S/c1-16-5-3-4-6-17(16)15-23(19-9-11-20(26-2)12-10-19)27(24,25)21-13-7-18(22)8-14-21/h3-14H,15H2,1-2H3.
What are the key properties of 4-fluoro-N-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide?
4-fluoro-N-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide has a molecular weight of 385.46 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 46021847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).