3,5-dichloro-N-(2-fluoro-6-pyrazol-1-ylphenyl)-2-hydroxybenzenesulfonamide

C15H10Cl2FN3O3S — CID 146600944

IUPAC3,5-dichloro-N-(2-fluoro-6-pyrazol-1-ylphenyl)-2-hydroxybenzenesulfonamide
SMILESO=S(=O)(Nc1c(F)cccc1-n1cccn1)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C15H10Cl2FN3O3S/c16-9-7-10(17)15(22)13(8-9)25(23,24)20-14-11(18)3-1-4-12(14)21-6-2-5-19-21/h1-8,20,22H
InChIKeyJRGILDBSFUXRDC-UHFFFAOYSA-N
MW402.23 g/mol
LogP3.82
Rot. Bonds4

About 3,5-dichloro-N-(2-fluoro-6-pyrazol-1-ylphenyl)-2-hydroxybenzenesulfonamide

3,5-dichloro-N-(2-fluoro-6-pyrazol-1-ylphenyl)-2-hydroxybenzenesulfonamide (PubChem CID 146600944) has the molecular formula C15H10Cl2FN3O3S and a molecular weight of 402.23 g/mol. Its IUPAC name is 3,5-dichloro-N-(2-fluoro-6-pyrazol-1-ylphenyl)-2-hydroxybenzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-(2-fluoro-6-pyrazol-1-ylphenyl)-2-hydroxybenzenesulfonamide
PubChem CID146600944
Molecular FormulaC15H10Cl2FN3O3S
Molecular Weight402.23 g/mol
Exact Mass400.98
IUPAC Name3,5-dichloro-N-(2-fluoro-6-pyrazol-1-ylphenyl)-2-hydroxybenzenesulfonamide
SMILESO=S(=O)(Nc1c(F)cccc1-n1cccn1)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C15H10Cl2FN3O3S/c16-9-7-10(17)15(22)13(8-9)25(23,24)20-14-11(18)3-1-4-12(14)21-6-2-5-19-21/h1-8,20,22H
InChIKeyJRGILDBSFUXRDC-UHFFFAOYSA-N
XLogP3.82
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.23
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3,5-dichloro-N-(2-fluoro-6-pyrazol-1-ylphenyl)-2-hydroxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dichloro-N-[2,4-difluoro-5-(triazol-2-yl)phenyl]-2-hydroxybenzenesulfonamide
CID 146545886
2,6-difluoro-N-(2-pyrazol-1-ylphenyl)benzenesulfonamide
CID 60532169
3,5-dichloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-hydroxybenzenesulfonamide
CID 3751185
3,5-dichloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
CID 146545747
2-chloro-5-methylsulfonyl-N-(2-pyrazol-1-ylphenyl)benzenesulfonamide
CID 55895336
4-bromo-2-chloro-N-(2-pyrazol-1-ylphenyl)benzenesulfonamide
CID 60532143
3-chloro-2-fluoro-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 60531782
3,5-dichloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-hydroxybenzenesulfonamide
CID 74228383
3,5-dichloro-N-(6-chloro-3-pyridinyl)-2-hydroxybenzenesulfonamide
CID 74227839
2-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-5-fluoro-4-phenylbenzoic acid
CID 146545806
3,5-dichloro-2-hydroxy-N-(2,3,4,5-tetrachlorophenyl)benzenesulfonamide
CID 22763232
5-chloro-2-methyl-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide
CID 121135065

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(2-fluoro-6-pyrazol-1-ylphenyl)-2-hydroxybenzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-(2-fluoro-6-pyrazol-1-ylphenyl)-2-hydroxybenzenesulfonamide (CID 146600944) is 3,5-dichloro-N-(2-fluoro-6-pyrazol-1-ylphenyl)-2-hydroxybenzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-(2-fluoro-6-pyrazol-1-ylphenyl)-2-hydroxybenzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-(2-fluoro-6-pyrazol-1-ylphenyl)-2-hydroxybenzenesulfonamide is O=S(=O)(Nc1c(F)cccc1-n1cccn1)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 3,5-dichloro-N-(2-fluoro-6-pyrazol-1-ylphenyl)-2-hydroxybenzenesulfonamide?
The InChIKey is JRGILDBSFUXRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2FN3O3S/c16-9-7-10(17)15(22)13(8-9)25(23,24)20-14-11(18)3-1-4-12(14)21-6-2-5-19-21/h1-8,20,22H.
What are the key properties of 3,5-dichloro-N-(2-fluoro-6-pyrazol-1-ylphenyl)-2-hydroxybenzenesulfonamide?
3,5-dichloro-N-(2-fluoro-6-pyrazol-1-ylphenyl)-2-hydroxybenzenesulfonamide has a molecular weight of 402.23 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(2-fluoro-6-pyrazol-1-ylphenyl)-2-hydroxybenzenesulfonamide is sourced from PubChem (CID 146600944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).