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

C23H24FNO3S — CID 93207564

IUPAC3-fluoro-N-(4-methoxyphenyl)-4-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(N([C@@H](C)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)c(F)c2)cc1
InChIInChI=1S/C23H24FNO3S/c1-16-5-8-19(9-6-16)18(3)25(20-10-12-21(28-4)13-11-20)29(26,27)22-14-7-17(2)23(24)15-22/h5-15,18H,1-4H3/t18-/m0/s1
InChIKeyFUJIAWYMWULEGS-SFHVURJKSA-N
MW413.51 g/mol
LogP5.41
Rot. Bonds6

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

3-fluoro-N-(4-methoxyphenyl)-4-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]benzenesulfonamide (PubChem CID 93207564) has the molecular formula C23H24FNO3S and a molecular weight of 413.51 g/mol. Its IUPAC name is 3-fluoro-N-(4-methoxyphenyl)-4-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(4-methoxyphenyl)-4-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]benzenesulfonamide
PubChem CID93207564
Molecular FormulaC23H24FNO3S
Molecular Weight413.51 g/mol
Exact Mass413.15
IUPAC Name3-fluoro-N-(4-methoxyphenyl)-4-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(N([C@@H](C)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)c(F)c2)cc1
InChIInChI=1S/C23H24FNO3S/c1-16-5-8-19(9-6-16)18(3)25(20-10-12-21(28-4)13-11-20)29(26,27)22-14-7-17(2)23(24)15-22/h5-15,18H,1-4H3/t18-/m0/s1
InChIKeyFUJIAWYMWULEGS-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

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Related Compounds

4-fluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-(4-methylphenyl)benzenesulfonamide
CID 93207194
3-fluoro-N-(4-methoxyphenyl)-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 46023164
3-fluoro-4-methyl-N-(3-methylphenyl)-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 46023173
3-chloro-4-fluoro-N-(4-methoxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 93207679
N-(3-fluoro-4-methylphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 93179193
N-[1-(4-methoxyphenyl)ethyl]-4-methyl-N-phenylbenzenesulfonamide
CID 42841654
4-fluoro-N-[1-(4-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 46022049
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-fluoro-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 93207596
N-(4-methoxyphenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]-3-nitrobenzenesulfonamide
CID 93207326
N-[(1R)-1-(4-chlorophenyl)ethyl]-3-fluoro-4-methyl-N-phenylbenzenesulfonamide
CID 93147758
4-methoxy-N-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 93179170
4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 93179197

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(4-methoxyphenyl)-4-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-(4-methoxyphenyl)-4-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]benzenesulfonamide (CID 93207564) is 3-fluoro-N-(4-methoxyphenyl)-4-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-(4-methoxyphenyl)-4-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-(4-methoxyphenyl)-4-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]benzenesulfonamide is COc1ccc(N([C@@H](C)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)c(F)c2)cc1.
What is the InChIKey of 3-fluoro-N-(4-methoxyphenyl)-4-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]benzenesulfonamide?
The InChIKey is FUJIAWYMWULEGS-SFHVURJKSA-N. The full InChI is InChI=1S/C23H24FNO3S/c1-16-5-8-19(9-6-16)18(3)25(20-10-12-21(28-4)13-11-20)29(26,27)22-14-7-17(2)23(24)15-22/h5-15,18H,1-4H3/t18-/m0/s1.
What are the key properties of 3-fluoro-N-(4-methoxyphenyl)-4-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]benzenesulfonamide?
3-fluoro-N-(4-methoxyphenyl)-4-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]benzenesulfonamide 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 3-fluoro-N-(4-methoxyphenyl)-4-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 93207564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).