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

C22H22FNO3S — CID 93207194

IUPAC4-fluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-(4-methylphenyl)benzenesulfonamide
SMILESCOc1ccc([C@H](C)N(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H22FNO3S/c1-16-4-10-20(11-5-16)24(17(2)18-6-12-21(27-3)13-7-18)28(25,26)22-14-8-19(23)9-15-22/h4-15,17H,1-3H3/t17-/m0/s1
InChIKeyIYXOSKJQFMJETL-KRWDZBQOSA-N
MW399.49 g/mol
LogP5.10
Rot. Bonds6

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

4-fluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-(4-methylphenyl)benzenesulfonamide (PubChem CID 93207194) has the molecular formula C22H22FNO3S and a molecular weight of 399.49 g/mol. Its IUPAC name is 4-fluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-(4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-(4-methylphenyl)benzenesulfonamide
PubChem CID93207194
Molecular FormulaC22H22FNO3S
Molecular Weight399.49 g/mol
Exact Mass399.13
IUPAC Name4-fluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-(4-methylphenyl)benzenesulfonamide
SMILESCOc1ccc([C@H](C)N(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H22FNO3S/c1-16-4-10-20(11-5-16)24(17(2)18-6-12-21(27-3)13-7-18)28(25,26)22-14-8-19(23)9-15-22/h4-15,17H,1-3H3/t17-/m0/s1
InChIKeyIYXOSKJQFMJETL-KRWDZBQOSA-N
XLogP5.10
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[1-(4-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 46022049
N-[1-(4-methoxyphenyl)ethyl]-4-methyl-N-phenylbenzenesulfonamide
CID 42841654
3-fluoro-N-(4-methoxyphenyl)-4-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 93207564
3-fluoro-N-(4-methoxyphenyl)-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 46023164
4-methoxy-N-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 93179170
4-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 42841650
N-(4-methoxyphenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]-3-nitrobenzenesulfonamide
CID 93207326
3-chloro-4-fluoro-N-(4-methoxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 93207679
N-(3,4-dimethoxyphenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-fluorobenzenesulfonamide
CID 46022076
2-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 93207276
2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)propanoic acid
CID 50891410
2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)propanoyl chloride
CID 50891411

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-(4-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-(4-methylphenyl)benzenesulfonamide (CID 93207194) is 4-fluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-(4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-(4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-(4-methylphenyl)benzenesulfonamide is COc1ccc([C@H](C)N(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-fluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-(4-methylphenyl)benzenesulfonamide?
The InChIKey is IYXOSKJQFMJETL-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H22FNO3S/c1-16-4-10-20(11-5-16)24(17(2)18-6-12-21(27-3)13-7-18)28(25,26)22-14-8-19(23)9-15-22/h4-15,17H,1-3H3/t17-/m0/s1.
What are the key properties of 4-fluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-(4-methylphenyl)benzenesulfonamide?
4-fluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-(4-methylphenyl)benzenesulfonamide has a molecular weight of 399.49 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-(4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 93207194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).