2-cyano-3-fluoro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide

C14H11FN2O3S — CID 115753840

IUPAC2-cyano-3-fluoro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide
SMILESN#Cc1c(F)cccc1S(=O)(=O)NCc1ccccc1O
InChIInChI=1S/C14H11FN2O3S/c15-12-5-3-7-14(11(12)8-16)21(19,20)17-9-10-4-1-2-6-13(10)18/h1-7,17-18H,9H2
InChIKeyFJCYENBFHVGCNY-UHFFFAOYSA-N
MW306.32 g/mol
LogP1.88
Rot. Bonds4

About 2-cyano-3-fluoro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide

2-cyano-3-fluoro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide (PubChem CID 115753840) has the molecular formula C14H11FN2O3S and a molecular weight of 306.32 g/mol. Its IUPAC name is 2-cyano-3-fluoro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-3-fluoro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide
PubChem CID115753840
Molecular FormulaC14H11FN2O3S
Molecular Weight306.32 g/mol
Exact Mass306.05
IUPAC Name2-cyano-3-fluoro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide
SMILESN#Cc1c(F)cccc1S(=O)(=O)NCc1ccccc1O
InChIInChI=1S/C14H11FN2O3S/c15-12-5-3-7-14(11(12)8-16)21(19,20)17-9-10-4-1-2-6-13(10)18/h1-7,17-18H,9H2
InChIKeyFJCYENBFHVGCNY-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-cyano-3-fluoro-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114956176
N-but-2-ynyl-2-cyano-3-fluorobenzenesulfonamide
CID 107258270
2-cyano-3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106399135
2-cyano-N-(2-ethylbutyl)-3-fluorobenzenesulfonamide
CID 115753532
5-[(2-cyano-3-fluorophenyl)sulfonylamino]pentanamide
CID 103916474
2-cyano-3-fluoro-N-(5,5,5-trifluoropentyl)benzenesulfonamide
CID 115486680
2,4-difluoro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide
CID 115753831
N-(2-cyano-3-fluorophenyl)-2-(2-hydroxyphenyl)acetamide
CID 80740497
2-cyano-3-fluoro-N-hex-5-ynylbenzenesulfonamide
CID 103837000
N-[(2-chlorophenyl)methyl]-2-cyano-3-methylbenzenesulfonamide
CID 86043324
4-[(2-cyano-3-fluorophenyl)sulfonylamino]-2-methylbutanoic acid
CID 80540372
2-cyano-3-fluoro-N-[(1-methylsulfanylcyclopropyl)methyl]benzenesulfonamide
CID 107271035

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-fluoro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of 2-cyano-3-fluoro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide (CID 115753840) is 2-cyano-3-fluoro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-cyano-3-fluoro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-cyano-3-fluoro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide is N#Cc1c(F)cccc1S(=O)(=O)NCc1ccccc1O.
What is the InChIKey of 2-cyano-3-fluoro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide?
The InChIKey is FJCYENBFHVGCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O3S/c15-12-5-3-7-14(11(12)8-16)21(19,20)17-9-10-4-1-2-6-13(10)18/h1-7,17-18H,9H2.
What are the key properties of 2-cyano-3-fluoro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide?
2-cyano-3-fluoro-N-[(2-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 2-cyano-3-fluoro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 115753840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).