N-[(2,4-difluorophenyl)methyl]-2-hydroxybenzenesulfonamide

C13H11F2NO3S — CID 81241598

IUPACN-[(2,4-difluorophenyl)methyl]-2-hydroxybenzenesulfonamide
SMILESO=S(=O)(NCc1ccc(F)cc1F)c1ccccc1O
InChIInChI=1S/C13H11F2NO3S/c14-10-6-5-9(11(15)7-10)8-16-20(18,19)13-4-2-1-3-12(13)17/h1-7,16-17H,8H2
InChIKeyKCTZSSQIBIMDNY-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.15
Rot. Bonds4

About N-[(2,4-difluorophenyl)methyl]-2-hydroxybenzenesulfonamide

N-[(2,4-difluorophenyl)methyl]-2-hydroxybenzenesulfonamide (PubChem CID 81241598) has the molecular formula C13H11F2NO3S and a molecular weight of 299.30 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-2-hydroxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-2-hydroxybenzenesulfonamide
PubChem CID81241598
Molecular FormulaC13H11F2NO3S
Molecular Weight299.30 g/mol
Exact Mass299.04
IUPAC NameN-[(2,4-difluorophenyl)methyl]-2-hydroxybenzenesulfonamide
SMILESO=S(=O)(NCc1ccc(F)cc1F)c1ccccc1O
InChIInChI=1S/C13H11F2NO3S/c14-10-6-5-9(11(15)7-10)8-16-20(18,19)13-4-2-1-3-12(13)17/h1-7,16-17H,8H2
InChIKeyKCTZSSQIBIMDNY-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

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Related Compounds

2,4-difluoro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide
CID 115753831
N-[(3-fluorophenyl)methyl]-2-hydroxybenzenesulfonamide
CID 81241692
N-[(2,4-difluorophenyl)methyl]-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106055204
2,5-difluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 19680619
1-(2-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]methanesulfonamide
CID 110782254
N-[(2,5-difluorophenyl)methyl]-2-nitrobenzenesulfonamide
CID 3768703
N-(4-fluorophenyl)-2-hydroxybenzenesulfonamide
CID 80503785
N-[(2-fluorophenyl)methyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 31068795
5-bromo-N-[(2,4-difluorophenyl)methyl]thiophene-2-sulfonamide
CID 6737105
2-chloro-N-[(2,4-difluorophenyl)methyl]ethanesulfonamide
CID 107651860
2-(aminomethyl)-N-[(2-bromophenyl)methyl]-5-fluorobenzenesulfonamide
CID 106051903
2-cyano-3-fluoro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide
CID 115753840

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-2-hydroxybenzenesulfonamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-2-hydroxybenzenesulfonamide (CID 81241598) is N-[(2,4-difluorophenyl)methyl]-2-hydroxybenzenesulfonamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-2-hydroxybenzenesulfonamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-2-hydroxybenzenesulfonamide is O=S(=O)(NCc1ccc(F)cc1F)c1ccccc1O.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-2-hydroxybenzenesulfonamide?
The InChIKey is KCTZSSQIBIMDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO3S/c14-10-6-5-9(11(15)7-10)8-16-20(18,19)13-4-2-1-3-12(13)17/h1-7,16-17H,8H2.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-2-hydroxybenzenesulfonamide?
N-[(2,4-difluorophenyl)methyl]-2-hydroxybenzenesulfonamide 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 N-[(2,4-difluorophenyl)methyl]-2-hydroxybenzenesulfonamide is sourced from PubChem (CID 81241598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).