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

C22H22FNO3S — CID 46023164

IUPAC3-fluoro-N-(4-methoxyphenyl)-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(N(C(C)c2ccc(C)cc2)S(=O)(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C22H22FNO3S/c1-16-7-9-18(10-8-16)17(2)24(20-11-13-21(27-3)14-12-20)28(25,26)22-6-4-5-19(23)15-22/h4-15,17H,1-3H3
InChIKeyBZWDYPNZMVIACW-UHFFFAOYSA-N
MW399.49 g/mol
LogP5.10
Rot. Bonds6

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

3-fluoro-N-(4-methoxyphenyl)-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide (PubChem CID 46023164) has the molecular formula C22H22FNO3S and a molecular weight of 399.49 g/mol. Its IUPAC name is 3-fluoro-N-(4-methoxyphenyl)-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(4-methoxyphenyl)-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
PubChem CID46023164
Molecular FormulaC22H22FNO3S
Molecular Weight399.49 g/mol
Exact Mass399.13
IUPAC Name3-fluoro-N-(4-methoxyphenyl)-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(N(C(C)c2ccc(C)cc2)S(=O)(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C22H22FNO3S/c1-16-7-9-18(10-8-16)17(2)24(20-11-13-21(27-3)14-12-20)28(25,26)22-6-4-5-19(23)15-22/h4-15,17H,1-3H3
InChIKeyBZWDYPNZMVIACW-UHFFFAOYSA-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-[(1S)-1-(4-methoxyphenyl)ethyl]-N-(4-methylphenyl)benzenesulfonamide
CID 93207194
3-fluoro-N-(4-methoxyphenyl)-4-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 93207564
N-(4-methoxyphenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]-3-nitrobenzenesulfonamide
CID 93207326
N-[1-(4-methoxyphenyl)ethyl]-4-methyl-N-phenylbenzenesulfonamide
CID 42841654
4-fluoro-N-[1-(4-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 46022049
4-methoxy-N-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 93179170
3-methoxy-N-(3-methylphenyl)-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 46023170
3-chloro-4-fluoro-N-(4-methoxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 93207679
N-[1-(3-methoxyphenyl)ethyl]-N-(4-methylphenyl)-3-nitrobenzenesulfonamide
CID 42841842
N-[1-(4-methoxyphenyl)ethyl]-N-(3-methylphenyl)-3-nitrobenzenesulfonamide
CID 42841837
N-(3-fluorophenyl)-4-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 93207337
N-(4-chlorophenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 93207234

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(4-methoxyphenyl)-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-(4-methoxyphenyl)-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide (CID 46023164) is 3-fluoro-N-(4-methoxyphenyl)-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-(4-methoxyphenyl)-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-(4-methoxyphenyl)-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide is COc1ccc(N(C(C)c2ccc(C)cc2)S(=O)(=O)c2cccc(F)c2)cc1.
What is the InChIKey of 3-fluoro-N-(4-methoxyphenyl)-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide?
The InChIKey is BZWDYPNZMVIACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FNO3S/c1-16-7-9-18(10-8-16)17(2)24(20-11-13-21(27-3)14-12-20)28(25,26)22-6-4-5-19(23)15-22/h4-15,17H,1-3H3.
What are the key properties of 3-fluoro-N-(4-methoxyphenyl)-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide?
3-fluoro-N-(4-methoxyphenyl)-N-[1-(4-methylphenyl)ethyl]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 3-fluoro-N-(4-methoxyphenyl)-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 46023164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).