4-fluoro-3-methoxy-N-[3-(3-methoxyphenyl)phenyl]-N-methylbenzenesulfonamide

C21H20FNO4S — CID 73351057

IUPAC4-fluoro-3-methoxy-N-[3-(3-methoxyphenyl)phenyl]-N-methylbenzenesulfonamide
SMILESCOc1cccc(-c2cccc(N(C)S(=O)(=O)c3ccc(F)c(OC)c3)c2)c1
InChIInChI=1S/C21H20FNO4S/c1-23(28(24,25)19-10-11-20(22)21(14-19)27-3)17-8-4-6-15(12-17)16-7-5-9-18(13-16)26-2/h4-14H,1-3H3
InChIKeyJVUPCKXHEAMLIZ-UHFFFAOYSA-N
MW401.46 g/mol
LogP4.34
Rot. Bonds6

About 4-fluoro-3-methoxy-N-[3-(3-methoxyphenyl)phenyl]-N-methylbenzenesulfonamide

4-fluoro-3-methoxy-N-[3-(3-methoxyphenyl)phenyl]-N-methylbenzenesulfonamide (PubChem CID 73351057) has the molecular formula C21H20FNO4S and a molecular weight of 401.46 g/mol. Its IUPAC name is 4-fluoro-3-methoxy-N-[3-(3-methoxyphenyl)phenyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methoxy-N-[3-(3-methoxyphenyl)phenyl]-N-methylbenzenesulfonamide
PubChem CID73351057
Molecular FormulaC21H20FNO4S
Molecular Weight401.46 g/mol
Exact Mass401.11
IUPAC Name4-fluoro-3-methoxy-N-[3-(3-methoxyphenyl)phenyl]-N-methylbenzenesulfonamide
SMILESCOc1cccc(-c2cccc(N(C)S(=O)(=O)c3ccc(F)c(OC)c3)c2)c1
InChIInChI=1S/C21H20FNO4S/c1-23(28(24,25)19-10-11-20(22)21(14-19)27-3)17-8-4-6-15(12-17)16-7-5-9-18(13-16)26-2/h4-14H,1-3H3
InChIKeyJVUPCKXHEAMLIZ-UHFFFAOYSA-N
XLogP4.34
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methoxy-N-[3-(3-methoxyphenyl)phenyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-fluoro-3-methoxy-N-[3-(3-methoxyphenyl)phenyl]-N-methylbenzenesulfonamide (CID 73351057) is 4-fluoro-3-methoxy-N-[3-(3-methoxyphenyl)phenyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methoxy-N-[3-(3-methoxyphenyl)phenyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methoxy-N-[3-(3-methoxyphenyl)phenyl]-N-methylbenzenesulfonamide is COc1cccc(-c2cccc(N(C)S(=O)(=O)c3ccc(F)c(OC)c3)c2)c1.
What is the InChIKey of 4-fluoro-3-methoxy-N-[3-(3-methoxyphenyl)phenyl]-N-methylbenzenesulfonamide?
The InChIKey is JVUPCKXHEAMLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO4S/c1-23(28(24,25)19-10-11-20(22)21(14-19)27-3)17-8-4-6-15(12-17)16-7-5-9-18(13-16)26-2/h4-14H,1-3H3.
What are the key properties of 4-fluoro-3-methoxy-N-[3-(3-methoxyphenyl)phenyl]-N-methylbenzenesulfonamide?
4-fluoro-3-methoxy-N-[3-(3-methoxyphenyl)phenyl]-N-methylbenzenesulfonamide has a molecular weight of 401.46 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methoxy-N-[3-(3-methoxyphenyl)phenyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 73351057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).