N-(3-fluoro-4-methylphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide

C23H24FNO3S — CID 93179193

IUPACN-(3-fluoro-4-methylphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
SMILESCOc1cccc([C@H](C)N(c2ccc(C)c(F)c2)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C23H24FNO3S/c1-16-8-12-22(13-9-16)29(26,27)25(20-11-10-17(2)23(24)15-20)18(3)19-6-5-7-21(14-19)28-4/h5-15,18H,1-4H3/t18-/m0/s1
InChIKeyIXIVPIJVGUGVAR-SFHVURJKSA-N
MW413.51 g/mol
LogP5.41
Rot. Bonds6

About N-(3-fluoro-4-methylphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide

N-(3-fluoro-4-methylphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide (PubChem CID 93179193) has the molecular formula C23H24FNO3S and a molecular weight of 413.51 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
PubChem CID93179193
Molecular FormulaC23H24FNO3S
Molecular Weight413.51 g/mol
Exact Mass413.15
IUPAC NameN-(3-fluoro-4-methylphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
SMILESCOc1cccc([C@H](C)N(c2ccc(C)c(F)c2)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C23H24FNO3S/c1-16-8-12-22(13-9-16)29(26,27)25(20-11-10-17(2)23(24)15-20)18(3)19-6-5-7-21(14-19)28-4/h5-15,18H,1-4H3/t18-/m0/s1
InChIKeyIXIVPIJVGUGVAR-SFHVURJKSA-N
XLogP5.41
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.51
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(3-fluoro-4-methylphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide 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-N-(3-fluoro-4-methylphenyl)-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 46014813
4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 93179197
N-(4-chlorophenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 93207234
4-fluoro-N-[1-(3-methoxyphenyl)ethyl]-N-(3-methylphenyl)benzenesulfonamide
CID 46022138
4-fluoro-N-[(1R)-1-(3-methoxyphenyl)ethyl]-N-(3-methylphenyl)benzenesulfonamide
CID 93207219
3-fluoro-N-(4-methoxyphenyl)-4-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 93207564
4-chloro-N-(4-chlorophenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 93207230
N-(3-fluoro-4-methylphenyl)-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 93179150
4-methoxy-N-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 93179170
3-chloro-N-(4-fluorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 93207690
N-(3,4-dimethoxyphenyl)-4-methoxy-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 93207440
N-[1-(3-methoxyphenyl)ethyl]-N-(4-methylphenyl)-3-nitrobenzenesulfonamide
CID 42841842

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide (CID 93179193) is N-(3-fluoro-4-methylphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide is COc1cccc([C@H](C)N(c2ccc(C)c(F)c2)S(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide?
The InChIKey is IXIVPIJVGUGVAR-SFHVURJKSA-N. The full InChI is InChI=1S/C23H24FNO3S/c1-16-8-12-22(13-9-16)29(26,27)25(20-11-10-17(2)23(24)15-20)18(3)19-6-5-7-21(14-19)28-4/h5-15,18H,1-4H3/t18-/m0/s1.
What are the key properties of N-(3-fluoro-4-methylphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide?
N-(3-fluoro-4-methylphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide has a molecular weight of 413.51 g/mol, XLogP of 5.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 93179193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).