2,4-difluoro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide

C13H11F2NO3S — CID 115753831

IUPAC2,4-difluoro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1O)c1ccc(F)cc1F
InChIInChI=1S/C13H11F2NO3S/c14-10-5-6-13(11(15)7-10)20(18,19)16-8-9-3-1-2-4-12(9)17/h1-7,16-17H,8H2
InChIKeyNUVCNDAGJMZKEV-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.15
Rot. Bonds4

About 2,4-difluoro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide

2,4-difluoro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide (PubChem CID 115753831) has the molecular formula C13H11F2NO3S and a molecular weight of 299.30 g/mol. Its IUPAC name is 2,4-difluoro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide
PubChem CID115753831
Molecular FormulaC13H11F2NO3S
Molecular Weight299.30 g/mol
Exact Mass299.04
IUPAC Name2,4-difluoro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1O)c1ccc(F)cc1F
InChIInChI=1S/C13H11F2NO3S/c14-10-5-6-13(11(15)7-10)20(18,19)16-8-9-3-1-2-4-12(9)17/h1-7,16-17H,8H2
InChIKeyNUVCNDAGJMZKEV-UHFFFAOYSA-N
XLogP2.15
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-2-hydroxybenzenesulfonamide
CID 81241598
2,4-difluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3821577
N-(3,3-difluoro-2-hydroxypropyl)-2,4-difluorobenzenesulfonamide
CID 113318786
N-[(2-chloro-3,6-difluorophenyl)methyl]-2,4-difluorobenzenesulfonamide
CID 4994625
2,4-difluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide
CID 90498039
2-cyano-3-fluoro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide
CID 115753840
N-[(2-bromophenyl)methyl]-2-chloro-4-fluorobenzenesulfonamide
CID 3673714
2,4-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 27305807
2,4-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzenesulfonamide
CID 3315110
N-[(3-fluorophenyl)methyl]-2-hydroxybenzenesulfonamide
CID 81241692
2,4-difluoro-N-(2-hydroxybutyl)benzenesulfonamide
CID 5018850
2,4-difluoro-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide
CID 90599250

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide (CID 115753831) is 2,4-difluoro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide is O=S(=O)(NCc1ccccc1O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide?
The InChIKey is NUVCNDAGJMZKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO3S/c14-10-5-6-13(11(15)7-10)20(18,19)16-8-9-3-1-2-4-12(9)17/h1-7,16-17H,8H2.
What are the key properties of 2,4-difluoro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide?
2,4-difluoro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide has a molecular weight of 299.30 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 115753831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).