3,5-dichloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide

C18H12Cl2FNO3S — CID 146545977

IUPAC3,5-dichloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccccc2)ccc1F)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C18H12Cl2FNO3S/c19-13-9-14(20)18(23)17(10-13)26(24,25)22-16-8-12(6-7-15(16)21)11-4-2-1-3-5-11/h1-10,22-23H
InChIKeyJVAZYPZUQVNKRN-UHFFFAOYSA-N
MW412.27 g/mol
LogP5.31
Rot. Bonds4

About 3,5-dichloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide

3,5-dichloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide (PubChem CID 146545977) has the molecular formula C18H12Cl2FNO3S and a molecular weight of 412.27 g/mol. Its IUPAC name is 3,5-dichloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
PubChem CID146545977
Molecular FormulaC18H12Cl2FNO3S
Molecular Weight412.27 g/mol
Exact Mass410.99
IUPAC Name3,5-dichloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccccc2)ccc1F)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C18H12Cl2FNO3S/c19-13-9-14(20)18(23)17(10-13)26(24,25)22-16-8-12(6-7-15(16)21)11-4-2-1-3-5-11/h1-10,22-23H
InChIKeyJVAZYPZUQVNKRN-UHFFFAOYSA-N
XLogP5.31
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.27
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_A(43)', 'substructure': 'N/A'}

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Related Compounds

3,5-dichloro-2-hydroxy-N-(4-methoxy-[1,1'-biphenyl]-3-yl)benzenesulfonamide
CID 16747776
3,5-dichloro-2-hydroxy-N-(2,4,6-triphenylphenyl)benzene-1-sulfonamide
CID 44442242
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-(3,5-difluorophenyl)-2-hydroxybenzenesulfonamide
CID 44442236
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

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide (CID 146545977) is 3,5-dichloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide is O=S(=O)(Nc1cc(-c2ccccc2)ccc1F)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 3,5-dichloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide?
The InChIKey is JVAZYPZUQVNKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2FNO3S/c19-13-9-14(20)18(23)17(10-13)26(24,25)22-16-8-12(6-7-15(16)21)11-4-2-1-3-5-11/h1-10,22-23H.
What are the key properties of 3,5-dichloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide?
3,5-dichloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide has a molecular weight of 412.27 g/mol, XLogP of 5.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide is sourced from PubChem (CID 146545977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).