4-[4,5-difluoro-2-(4-methoxy-3-methylphenyl)phenyl]benzenesulfonamide

C20H17F2NO3S — CID 10834201

IUPAC4-[4,5-difluoro-2-(4-methoxy-3-methylphenyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(-c2cc(F)c(F)cc2-c2ccc(S(N)(=O)=O)cc2)cc1C
InChIInChI=1S/C20H17F2NO3S/c1-12-9-14(5-8-20(12)26-2)17-11-19(22)18(21)10-16(17)13-3-6-15(7-4-13)27(23,24)25/h3-11H,1-2H3,(H2,23,24,25)
InChIKeyMUGCQDUJQZLPRQ-UHFFFAOYSA-N
MW389.42 g/mol
LogP4.26
Rot. Bonds4

About 4-[4,5-difluoro-2-(4-methoxy-3-methylphenyl)phenyl]benzenesulfonamide

4-[4,5-difluoro-2-(4-methoxy-3-methylphenyl)phenyl]benzenesulfonamide (PubChem CID 10834201) has the molecular formula C20H17F2NO3S and a molecular weight of 389.42 g/mol. Its IUPAC name is 4-[4,5-difluoro-2-(4-methoxy-3-methylphenyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4,5-difluoro-2-(4-methoxy-3-methylphenyl)phenyl]benzenesulfonamide
PubChem CID10834201
Molecular FormulaC20H17F2NO3S
Molecular Weight389.42 g/mol
Exact Mass389.09
IUPAC Name4-[4,5-difluoro-2-(4-methoxy-3-methylphenyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(-c2cc(F)c(F)cc2-c2ccc(S(N)(=O)=O)cc2)cc1C
InChIInChI=1S/C20H17F2NO3S/c1-12-9-14(5-8-20(12)26-2)17-11-19(22)18(21)10-16(17)13-3-6-15(7-4-13)27(23,24)25/h3-11H,1-2H3,(H2,23,24,25)
InChIKeyMUGCQDUJQZLPRQ-UHFFFAOYSA-N
XLogP4.26
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4,5-difluoro-2-(4-methoxy-3-methylphenyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-[4,5-difluoro-2-(4-methoxy-3-methylphenyl)phenyl]benzenesulfonamide (CID 10834201) is 4-[4,5-difluoro-2-(4-methoxy-3-methylphenyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-[4,5-difluoro-2-(4-methoxy-3-methylphenyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-[4,5-difluoro-2-(4-methoxy-3-methylphenyl)phenyl]benzenesulfonamide is COc1ccc(-c2cc(F)c(F)cc2-c2ccc(S(N)(=O)=O)cc2)cc1C.
What is the InChIKey of 4-[4,5-difluoro-2-(4-methoxy-3-methylphenyl)phenyl]benzenesulfonamide?
The InChIKey is MUGCQDUJQZLPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2NO3S/c1-12-9-14(5-8-20(12)26-2)17-11-19(22)18(21)10-16(17)13-3-6-15(7-4-13)27(23,24)25/h3-11H,1-2H3,(H2,23,24,25).
What are the key properties of 4-[4,5-difluoro-2-(4-methoxy-3-methylphenyl)phenyl]benzenesulfonamide?
4-[4,5-difluoro-2-(4-methoxy-3-methylphenyl)phenyl]benzenesulfonamide has a molecular weight of 389.42 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,5-difluoro-2-(4-methoxy-3-methylphenyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 10834201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).