3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-(hydroxymethyl)benzenesulfonamide

C19H14ClF2NO4S — CID 146545869

IUPAC3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-(hydroxymethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccccc2)c(F)cc1F)c1cc(CO)cc(Cl)c1O
InChIInChI=1S/C19H14ClF2NO4S/c20-14-6-11(10-24)7-18(19(14)25)28(26,27)23-17-8-13(15(21)9-16(17)22)12-4-2-1-3-5-12/h1-9,23-25H,10H2
InChIKeyJEKWQWTZDHXLFF-UHFFFAOYSA-N
MW425.84 g/mol
LogP4.28
Rot. Bonds5

About 3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-(hydroxymethyl)benzenesulfonamide

3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-(hydroxymethyl)benzenesulfonamide (PubChem CID 146545869) has the molecular formula C19H14ClF2NO4S and a molecular weight of 425.84 g/mol. Its IUPAC name is 3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-(hydroxymethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-(hydroxymethyl)benzenesulfonamide
PubChem CID146545869
Molecular FormulaC19H14ClF2NO4S
Molecular Weight425.84 g/mol
Exact Mass425.03
IUPAC Name3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-(hydroxymethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccccc2)c(F)cc1F)c1cc(CO)cc(Cl)c1O
InChIInChI=1S/C19H14ClF2NO4S/c20-14-6-11(10-24)7-18(19(14)25)28(26,27)23-17-8-13(15(21)9-16(17)22)12-4-2-1-3-5-12/h1-9,23-25H,10H2
InChIKeyJEKWQWTZDHXLFF-UHFFFAOYSA-N
XLogP4.28
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.84
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Ndi-091143
CID 137796782
3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-(trifluoromethyl)benzenesulfonamide
CID 146545724
3,5-dichloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
CID 146545747
3-chloro-5-cyano-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
CID 146545779
3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-methylsulfonylbenzenesulfonamide
CID 146545787
3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-methylbenzenesulfonamide
CID 146545790
3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-propanoylbenzenesulfonamide
CID 146545873
Methyl 3-chloro-5-[(2-fluoro-5-phenylphenyl)sulfamoyl]-4-hydroxybenzoate
CID 146545929
3-Chloro-5-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxybenzoic acid
CID 146545963
3-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
CID 146545968
Methyl 3-chloro-5-[(2,3-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxybenzoate
CID 146545972
3,5-dichloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
CID 146545977

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-(hydroxymethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-(hydroxymethyl)benzenesulfonamide (CID 146545869) is 3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-(hydroxymethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-(hydroxymethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-(hydroxymethyl)benzenesulfonamide is O=S(=O)(Nc1cc(-c2ccccc2)c(F)cc1F)c1cc(CO)cc(Cl)c1O.
What is the InChIKey of 3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-(hydroxymethyl)benzenesulfonamide?
The InChIKey is JEKWQWTZDHXLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF2NO4S/c20-14-6-11(10-24)7-18(19(14)25)28(26,27)23-17-8-13(15(21)9-16(17)22)12-4-2-1-3-5-12/h1-9,23-25H,10H2.
What are the key properties of 3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-(hydroxymethyl)benzenesulfonamide?
3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-(hydroxymethyl)benzenesulfonamide has a molecular weight of 425.84 g/mol, XLogP of 4.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-(hydroxymethyl)benzenesulfonamide is sourced from PubChem (CID 146545869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).