3-cyano-4-fluoro-N-[(4-hydroxyphenyl)methyl]benzenesulfonamide

C14H11FN2O3S — CID 115753719

IUPAC3-cyano-4-fluoro-N-[(4-hydroxyphenyl)methyl]benzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)NCc2ccc(O)cc2)ccc1F
InChIInChI=1S/C14H11FN2O3S/c15-14-6-5-13(7-11(14)8-16)21(19,20)17-9-10-1-3-12(18)4-2-10/h1-7,17-18H,9H2
InChIKeyYENFJLWLLYDUDE-UHFFFAOYSA-N
MW306.32 g/mol
LogP1.88
Rot. Bonds4

About 3-cyano-4-fluoro-N-[(4-hydroxyphenyl)methyl]benzenesulfonamide

3-cyano-4-fluoro-N-[(4-hydroxyphenyl)methyl]benzenesulfonamide (PubChem CID 115753719) has the molecular formula C14H11FN2O3S and a molecular weight of 306.32 g/mol. Its IUPAC name is 3-cyano-4-fluoro-N-[(4-hydroxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-4-fluoro-N-[(4-hydroxyphenyl)methyl]benzenesulfonamide
PubChem CID115753719
Molecular FormulaC14H11FN2O3S
Molecular Weight306.32 g/mol
Exact Mass306.05
IUPAC Name3-cyano-4-fluoro-N-[(4-hydroxyphenyl)methyl]benzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)NCc2ccc(O)cc2)ccc1F
InChIInChI=1S/C14H11FN2O3S/c15-14-6-5-13(7-11(14)8-16)21(19,20)17-9-10-1-3-12(18)4-2-10/h1-7,17-18H,9H2
InChIKeyYENFJLWLLYDUDE-UHFFFAOYSA-N
XLogP1.88
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-fluoro-N-[(4-hydroxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of 3-cyano-4-fluoro-N-[(4-hydroxyphenyl)methyl]benzenesulfonamide (CID 115753719) is 3-cyano-4-fluoro-N-[(4-hydroxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-cyano-4-fluoro-N-[(4-hydroxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-cyano-4-fluoro-N-[(4-hydroxyphenyl)methyl]benzenesulfonamide is N#Cc1cc(S(=O)(=O)NCc2ccc(O)cc2)ccc1F.
What is the InChIKey of 3-cyano-4-fluoro-N-[(4-hydroxyphenyl)methyl]benzenesulfonamide?
The InChIKey is YENFJLWLLYDUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O3S/c15-14-6-5-13(7-11(14)8-16)21(19,20)17-9-10-1-3-12(18)4-2-10/h1-7,17-18H,9H2.
What are the key properties of 3-cyano-4-fluoro-N-[(4-hydroxyphenyl)methyl]benzenesulfonamide?
3-cyano-4-fluoro-N-[(4-hydroxyphenyl)methyl]benzenesulfonamide has a molecular weight of 306.32 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-4-fluoro-N-[(4-hydroxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 115753719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).