3-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide

C18H13ClFNO3S — CID 146545968

IUPAC3-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccccc2)ccc1F)c1cccc(Cl)c1O
InChIInChI=1S/C18H13ClFNO3S/c19-14-7-4-8-17(18(14)22)25(23,24)21-16-11-13(9-10-15(16)20)12-5-2-1-3-6-12/h1-11,21-22H
InChIKeyZGNGMHOYHWFHBN-UHFFFAOYSA-N
MW377.82 g/mol
LogP4.65
Rot. Bonds4

About 3-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide

3-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide (PubChem CID 146545968) has the molecular formula C18H13ClFNO3S and a molecular weight of 377.82 g/mol. Its IUPAC name is 3-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
PubChem CID146545968
Molecular FormulaC18H13ClFNO3S
Molecular Weight377.82 g/mol
Exact Mass377.03
IUPAC Name3-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccccc2)ccc1F)c1cccc(Cl)c1O
InChIInChI=1S/C18H13ClFNO3S/c19-14-7-4-8-17(18(14)22)25(23,24)21-16-11-13(9-10-15(16)20)12-5-2-1-3-6-12/h1-11,21-22H
InChIKeyZGNGMHOYHWFHBN-UHFFFAOYSA-N
XLogP4.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.82
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxy-benzenesulfonamide
CID 71508633
3,5-dichloro-N-(3,5-di-tert-butylphenyl)-2-hydroxybenzenesulfonamide
CID 44442231
3,5-dichloro-N-(2,5-di-tert-butylphenyl)-2-hydroxybenzenesulfonamide
CID 44442239
3,5-dichloro-N-(4-hexylphenyl)-2-hydroxybenzenesulfonamide
CID 44442284
3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-(trifluoromethyl)benzenesulfonamide
CID 146545724
3-bromo-5-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
CID 146545732
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-(hydroxymethyl)benzenesulfonamide
CID 146545869
5-bromo-3-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
CID 146545883

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide?
The IUPAC name of 3-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide (CID 146545968) is 3-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide is O=S(=O)(Nc1cc(-c2ccccc2)ccc1F)c1cccc(Cl)c1O.
What is the InChIKey of 3-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide?
The InChIKey is ZGNGMHOYHWFHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFNO3S/c19-14-7-4-8-17(18(14)22)25(23,24)21-16-11-13(9-10-15(16)20)12-5-2-1-3-6-12/h1-11,21-22H.
What are the key properties of 3-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide?
3-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide has a molecular weight of 377.82 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide is sourced from PubChem (CID 146545968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).