4-(2,4-difluorophenyl)-N-[2-hydroxy-5-(hydroxymethyl)phenyl]benzenesulfonamide

C19H15F2NO4S — CID 25098359

IUPAC4-(2,4-difluorophenyl)-N-[2-hydroxy-5-(hydroxymethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(CO)ccc1O)c1ccc(-c2ccc(F)cc2F)cc1
InChIInChI=1S/C19H15F2NO4S/c20-14-4-7-16(17(21)10-14)13-2-5-15(6-3-13)27(25,26)22-18-9-12(11-23)1-8-19(18)24/h1-10,22-24H,11H2
InChIKeyLDSVXTYLAQHUTM-UHFFFAOYSA-N
MW391.40 g/mol
LogP3.63
Rot. Bonds5

About 4-(2,4-difluorophenyl)-N-[2-hydroxy-5-(hydroxymethyl)phenyl]benzenesulfonamide

4-(2,4-difluorophenyl)-N-[2-hydroxy-5-(hydroxymethyl)phenyl]benzenesulfonamide (PubChem CID 25098359) has the molecular formula C19H15F2NO4S and a molecular weight of 391.40 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-N-[2-hydroxy-5-(hydroxymethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-N-[2-hydroxy-5-(hydroxymethyl)phenyl]benzenesulfonamide
PubChem CID25098359
Molecular FormulaC19H15F2NO4S
Molecular Weight391.40 g/mol
Exact Mass391.07
IUPAC Name4-(2,4-difluorophenyl)-N-[2-hydroxy-5-(hydroxymethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(CO)ccc1O)c1ccc(-c2ccc(F)cc2F)cc1
InChIInChI=1S/C19H15F2NO4S/c20-14-4-7-16(17(21)10-14)13-2-5-15(6-3-13)27(25,26)22-18-9-12(11-23)1-8-19(18)24/h1-10,22-24H,11H2
InChIKeyLDSVXTYLAQHUTM-UHFFFAOYSA-N
XLogP3.63
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide
CID 25097035
4-(4-bromophenyl)-N-[2-hydroxy-5-(hydroxymethyl)phenyl]benzenesulfonamide
CID 25097809
N-(2-hydroxyphenyl)-4-biphenylsulfonamide
CID 893823
Benzene sulfonamide derivative 8
CID 894213
4-(4-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide
CID 25097524
4-(2-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide
CID 25098361
4-tert-butyl-N-(2-hydroxy-5-methylphenyl)benzenesulfonamide
CID 11976154
4-tert-butyl-N-(2-hydroxy-3,5-dimethylphenyl)benzenesulfonamide
CID 137633069
4-tert-butyl-N-(2-hydroxy-5-phenylphenyl)benzenesulfonamide
CID 137637153
N-(2-fluoro-4-hydroxyphenyl)-4-phenylbenzenesulfonamide
CID 56941415
N-(3-fluoro-4-hydroxyphenyl)-4-phenylbenzenesulfonamide
CID 56941418
N-(3,4-difluoro-2-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 53382854

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-N-[2-hydroxy-5-(hydroxymethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-(2,4-difluorophenyl)-N-[2-hydroxy-5-(hydroxymethyl)phenyl]benzenesulfonamide (CID 25098359) is 4-(2,4-difluorophenyl)-N-[2-hydroxy-5-(hydroxymethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-(2,4-difluorophenyl)-N-[2-hydroxy-5-(hydroxymethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-(2,4-difluorophenyl)-N-[2-hydroxy-5-(hydroxymethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1cc(CO)ccc1O)c1ccc(-c2ccc(F)cc2F)cc1.
What is the InChIKey of 4-(2,4-difluorophenyl)-N-[2-hydroxy-5-(hydroxymethyl)phenyl]benzenesulfonamide?
The InChIKey is LDSVXTYLAQHUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2NO4S/c20-14-4-7-16(17(21)10-14)13-2-5-15(6-3-13)27(25,26)22-18-9-12(11-23)1-8-19(18)24/h1-10,22-24H,11H2.
What are the key properties of 4-(2,4-difluorophenyl)-N-[2-hydroxy-5-(hydroxymethyl)phenyl]benzenesulfonamide?
4-(2,4-difluorophenyl)-N-[2-hydroxy-5-(hydroxymethyl)phenyl]benzenesulfonamide has a molecular weight of 391.40 g/mol, XLogP of 3.63, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-N-[2-hydroxy-5-(hydroxymethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 25098359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).