3,5-dichloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-hydroxybenzenesulfonamide

C13H7Cl2F4NO3S — CID 3751185

IUPAC3,5-dichloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-hydroxybenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(C(F)(F)F)c1)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C13H7Cl2F4NO3S/c14-6-3-9(15)12(21)11(4-6)24(22,23)20-7-1-2-10(16)8(5-7)13(17,18)19/h1-5,20-21H
InChIKeyIFIBRWCOFCPBLW-UHFFFAOYSA-N
MW404.17 g/mol
LogP4.66
Rot. Bonds3

About 3,5-dichloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-hydroxybenzenesulfonamide

3,5-dichloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-hydroxybenzenesulfonamide (PubChem CID 3751185) has the molecular formula C13H7Cl2F4NO3S and a molecular weight of 404.17 g/mol. Its IUPAC name is 3,5-dichloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-hydroxybenzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-hydroxybenzenesulfonamide
PubChem CID3751185
Molecular FormulaC13H7Cl2F4NO3S
Molecular Weight404.17 g/mol
Exact Mass402.95
IUPAC Name3,5-dichloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-hydroxybenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(C(F)(F)F)c1)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C13H7Cl2F4NO3S/c14-6-3-9(15)12(21)11(4-6)24(22,23)20-7-1-2-10(16)8(5-7)13(17,18)19/h1-5,20-21H
InChIKeyIFIBRWCOFCPBLW-UHFFFAOYSA-N
XLogP4.66
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.17
LogP ≤ 54.66
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-N-(6-chloro-3-pyridinyl)-2-hydroxybenzenesulfonamide
CID 74227839
N-[4-fluoro-3-(trifluoromethyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 60596501
N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 61228449
4-acetyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3694127
5-chloro-N-(4-chlorophenyl)-2-fluorobenzenesulfonamide
CID 141028077
2-chloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-sulfonamide
CID 61229017
3,5-dichloro-2-hydroxy-N-[4-[(E)-3-oxobut-1-enyl]phenyl]benzenesulfonamide
CID 69281379
2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfamoyl]propanoic acid
CID 61457742
3,5-dichloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
CID 146545747
3,5-dichloro-2-hydroxy-N-(1-propan-2-ylindazol-5-yl)benzenesulfonamide
CID 146600973
3,5-dichloro-N-(3-cyano-4-propan-2-yloxyphenyl)-2-hydroxybenzenesulfonamide
CID 167899475
5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methoxybenzenesulfonamide
CID 3712259

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-hydroxybenzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-hydroxybenzenesulfonamide (CID 3751185) is 3,5-dichloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-hydroxybenzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-hydroxybenzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-hydroxybenzenesulfonamide is O=S(=O)(Nc1ccc(F)c(C(F)(F)F)c1)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 3,5-dichloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-hydroxybenzenesulfonamide?
The InChIKey is IFIBRWCOFCPBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2F4NO3S/c14-6-3-9(15)12(21)11(4-6)24(22,23)20-7-1-2-10(16)8(5-7)13(17,18)19/h1-5,20-21H.
What are the key properties of 3,5-dichloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-hydroxybenzenesulfonamide?
3,5-dichloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-hydroxybenzenesulfonamide has a molecular weight of 404.17 g/mol, XLogP of 4.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-hydroxybenzenesulfonamide is sourced from PubChem (CID 3751185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).