N-[4,5-difluoro-2-(4-methoxyphenyl)phenyl]benzenesulfonamide

C19H15F2NO3S — CID 67653567

IUPACN-[4,5-difluoro-2-(4-methoxyphenyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(-c2cc(F)c(F)cc2NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C19H15F2NO3S/c1-25-14-9-7-13(8-10-14)16-11-17(20)18(21)12-19(16)22-26(23,24)15-5-3-2-4-6-15/h2-12,22H,1H3
InChIKeyYFJDENFJQWUBFD-UHFFFAOYSA-N
MW375.40 g/mol
LogP4.44
Rot. Bonds5

About N-[4,5-difluoro-2-(4-methoxyphenyl)phenyl]benzenesulfonamide

N-[4,5-difluoro-2-(4-methoxyphenyl)phenyl]benzenesulfonamide (PubChem CID 67653567) has the molecular formula C19H15F2NO3S and a molecular weight of 375.40 g/mol. Its IUPAC name is N-[4,5-difluoro-2-(4-methoxyphenyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4,5-difluoro-2-(4-methoxyphenyl)phenyl]benzenesulfonamide
PubChem CID67653567
Molecular FormulaC19H15F2NO3S
Molecular Weight375.40 g/mol
Exact Mass375.07
IUPAC NameN-[4,5-difluoro-2-(4-methoxyphenyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(-c2cc(F)c(F)cc2NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C19H15F2NO3S/c1-25-14-9-7-13(8-10-14)16-11-17(20)18(21)12-19(16)22-26(23,24)15-5-3-2-4-6-15/h2-12,22H,1H3
InChIKeyYFJDENFJQWUBFD-UHFFFAOYSA-N
XLogP4.44
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide
CID 23217148
N-(5-methoxy-2-phenylphenyl)-4-methylbenzenesulfonamide
CID 169370137
N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 711138
N-[2-(4-cyano-3-fluorophenyl)phenyl]-4-methoxybenzenesulfonamide
CID 122184518
N-[2-(aminomethyl)-3-fluorophenyl]-4-methoxybenzenesulfonamide
CID 43580855
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
3-fluoro-4-methoxy-N-(2-phenylphenyl)benzenesulfonamide
CID 39825493
1-(benzenesulfonyl)-2-[[3-fluoro-4-iodo-5-(4-methoxyphenyl)phenyl]methyl]guanidine
CID 142418383
4-methoxy-N-(3,4,5-trifluorophenyl)benzenesulfonamide
CID 3876115
N-(5-fluoro-2-methylphenyl)-4-methoxybenzenesulfonamide
CID 6470178
4-fluoro-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzenesulfonamide
CID 8519475
N-[5-(benzenesulfonamido)-4-fluoro-2-methylphenyl]benzenesulfonamide
CID 19431161

Frequently Asked Questions

What is the IUPAC name of N-[4,5-difluoro-2-(4-methoxyphenyl)phenyl]benzenesulfonamide?
The IUPAC name of N-[4,5-difluoro-2-(4-methoxyphenyl)phenyl]benzenesulfonamide (CID 67653567) is N-[4,5-difluoro-2-(4-methoxyphenyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4,5-difluoro-2-(4-methoxyphenyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[4,5-difluoro-2-(4-methoxyphenyl)phenyl]benzenesulfonamide is COc1ccc(-c2cc(F)c(F)cc2NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4,5-difluoro-2-(4-methoxyphenyl)phenyl]benzenesulfonamide?
The InChIKey is YFJDENFJQWUBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2NO3S/c1-25-14-9-7-13(8-10-14)16-11-17(20)18(21)12-19(16)22-26(23,24)15-5-3-2-4-6-15/h2-12,22H,1H3.
What are the key properties of N-[4,5-difluoro-2-(4-methoxyphenyl)phenyl]benzenesulfonamide?
N-[4,5-difluoro-2-(4-methoxyphenyl)phenyl]benzenesulfonamide has a molecular weight of 375.40 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-difluoro-2-(4-methoxyphenyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 67653567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).