2-fluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide

C13H12FNO3S — CID 2369671

IUPAC2-fluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide
SMILESCN(c1ccc(O)cc1)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C13H12FNO3S/c1-15(10-6-8-11(16)9-7-10)19(17,18)13-5-3-2-4-12(13)14/h2-9,16H,1H3
InChIKeyAZGSGUOTLVNEGI-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.36
Rot. Bonds3

About 2-fluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide

2-fluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide (PubChem CID 2369671) has the molecular formula C13H12FNO3S and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-fluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide
PubChem CID2369671
Molecular FormulaC13H12FNO3S
Molecular Weight281.31 g/mol
Exact Mass281.05
IUPAC Name2-fluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide
SMILESCN(c1ccc(O)cc1)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C13H12FNO3S/c1-15(10-6-8-11(16)9-7-10)19(17,18)13-5-3-2-4-12(13)14/h2-9,16H,1H3
InChIKeyAZGSGUOTLVNEGI-UHFFFAOYSA-N
XLogP2.36
TPSA57.61 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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide?
The IUPAC name of 2-fluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide (CID 2369671) is 2-fluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide is CN(c1ccc(O)cc1)S(=O)(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide?
The InChIKey is AZGSGUOTLVNEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO3S/c1-15(10-6-8-11(16)9-7-10)19(17,18)13-5-3-2-4-12(13)14/h2-9,16H,1H3.
What are the key properties of 2-fluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide?
2-fluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide has a molecular weight of 281.31 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 2369671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).