4-(2-fluoro-3-methoxyphenyl)benzenesulfonamide

C13H12FNO3S — CID 173256042

IUPAC4-(2-fluoro-3-methoxyphenyl)benzenesulfonamide
SMILESCOc1cccc(-c2ccc(S(N)(=O)=O)cc2)c1F
InChIInChI=1S/C13H12FNO3S/c1-18-12-4-2-3-11(13(12)14)9-5-7-10(8-6-9)19(15,16)17/h2-8H,1H3,(H2,15,16,17)
InChIKeyXZRNUCFVGYSMFE-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.15
Rot. Bonds3

About 4-(2-fluoro-3-methoxyphenyl)benzenesulfonamide

4-(2-fluoro-3-methoxyphenyl)benzenesulfonamide (PubChem CID 173256042) has the molecular formula C13H12FNO3S and a molecular weight of 281.31 g/mol. Its IUPAC name is 4-(2-fluoro-3-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-fluoro-3-methoxyphenyl)benzenesulfonamide
PubChem CID173256042
Molecular FormulaC13H12FNO3S
Molecular Weight281.31 g/mol
Exact Mass281.05
IUPAC Name4-(2-fluoro-3-methoxyphenyl)benzenesulfonamide
SMILESCOc1cccc(-c2ccc(S(N)(=O)=O)cc2)c1F
InChIInChI=1S/C13H12FNO3S/c1-18-12-4-2-3-11(13(12)14)9-5-7-10(8-6-9)19(15,16)17/h2-8H,1H3,(H2,15,16,17)
InChIKeyXZRNUCFVGYSMFE-UHFFFAOYSA-N
XLogP2.15
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-hydroxy-2-(2-methoxyphenyl)phenyl]benzenesulfonamide
CID 174432031
4-[2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide
CID 10808251
2-fluoro-3-methoxybenzenesulfonamide
CID 82811316
4-[2-[3-methoxy-4-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide
CID 23451260
4-(2-fluoro-3-methoxyphenyl)-2,6-dimethylbenzaldehyde
CID 172876946
4-[2-[3,5-dimethoxy-4-(trifluoromethyl)phenyl]-4,5-difluorophenyl]benzenesulfonamide
CID 23451308
4-[2-(4-methylphenyl)phenyl]benzenesulfonamide
CID 23451018
4-(2-fluoro-3-methoxyphenyl)-2-hydroxybenzaldehyde
CID 53220432
2-(2-fluoro-3-methoxyphenyl)phenol
CID 53218569
4-[2-[3,5-bis(dimethylamino)-4-fluorophenyl]phenyl]benzenesulfonamide
CID 23451025
4-(3-bromo-4-methoxyphenyl)benzenesulfonamide
CID 57313510
1,2,3-trichloro-5-(2-fluoro-3-methoxyphenyl)benzene
CID 134620248

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-3-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-(2-fluoro-3-methoxyphenyl)benzenesulfonamide (CID 173256042) is 4-(2-fluoro-3-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-fluoro-3-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-(2-fluoro-3-methoxyphenyl)benzenesulfonamide is COc1cccc(-c2ccc(S(N)(=O)=O)cc2)c1F.
What is the InChIKey of 4-(2-fluoro-3-methoxyphenyl)benzenesulfonamide?
The InChIKey is XZRNUCFVGYSMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO3S/c1-18-12-4-2-3-11(13(12)14)9-5-7-10(8-6-9)19(15,16)17/h2-8H,1H3,(H2,15,16,17).
What are the key properties of 4-(2-fluoro-3-methoxyphenyl)benzenesulfonamide?
4-(2-fluoro-3-methoxyphenyl)benzenesulfonamide has a molecular weight of 281.31 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-3-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 173256042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).