N-(3,5-dichloro-4-hydroxyphenyl)-5-fluoro-2-methylbenzenesulfonamide

C13H10Cl2FNO3S — CID 82880647

IUPACN-(3,5-dichloro-4-hydroxyphenyl)-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C13H10Cl2FNO3S/c1-7-2-3-8(16)4-12(7)21(19,20)17-9-5-10(14)13(18)11(15)6-9/h2-6,17-18H,1H3
InChIKeyXXUZBKPBGVZQMC-UHFFFAOYSA-N
MW350.20 g/mol
LogP3.95
Rot. Bonds3

About N-(3,5-dichloro-4-hydroxyphenyl)-5-fluoro-2-methylbenzenesulfonamide

N-(3,5-dichloro-4-hydroxyphenyl)-5-fluoro-2-methylbenzenesulfonamide (PubChem CID 82880647) has the molecular formula C13H10Cl2FNO3S and a molecular weight of 350.20 g/mol. Its IUPAC name is N-(3,5-dichloro-4-hydroxyphenyl)-5-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-hydroxyphenyl)-5-fluoro-2-methylbenzenesulfonamide
PubChem CID82880647
Molecular FormulaC13H10Cl2FNO3S
Molecular Weight350.20 g/mol
Exact Mass348.97
IUPAC NameN-(3,5-dichloro-4-hydroxyphenyl)-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C13H10Cl2FNO3S/c1-7-2-3-8(16)4-12(7)21(19,20)17-9-5-10(14)13(18)11(15)6-9/h2-6,17-18H,1H3
InChIKeyXXUZBKPBGVZQMC-UHFFFAOYSA-N
XLogP3.95
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.20
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze N-(3,5-dichloro-4-hydroxyphenyl)-5-fluoro-2-methylbenzenesulfonamide 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

N-(4-amino-3-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43604420
N-(3-chloro-4-methylphenyl)-2,5-difluorobenzenesulfonamide
CID 9234950
4-[(5-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 7040246
N-(2-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 47308992
N-(5-chloro-2-hydroxyphenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43344384
5-fluoro-2-methyl-N-(4-methylsulfanylphenyl)benzenesulfonamide
CID 3600793
5-fluoro-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 47309539
N-(2-bromo-6-chloro-4-fluorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 104922677
5-fluoro-N-[3-(1-hydroxyethyl)phenyl]-2-methylbenzenesulfonamide
CID 43508629
4-chloro-3-[(5-fluoro-2-methylphenyl)sulfonylamino]-N-methylbenzamide
CID 87027257
5-fluoro-N-(4-hydroxy-2,5-dimethylphenyl)-2-methylbenzenesulfonamide
CID 106831907
N-(3-bromo-4-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 115610706

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-hydroxyphenyl)-5-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-(3,5-dichloro-4-hydroxyphenyl)-5-fluoro-2-methylbenzenesulfonamide (CID 82880647) is N-(3,5-dichloro-4-hydroxyphenyl)-5-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(3,5-dichloro-4-hydroxyphenyl)-5-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-(3,5-dichloro-4-hydroxyphenyl)-5-fluoro-2-methylbenzenesulfonamide is Cc1ccc(F)cc1S(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of N-(3,5-dichloro-4-hydroxyphenyl)-5-fluoro-2-methylbenzenesulfonamide?
The InChIKey is XXUZBKPBGVZQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FNO3S/c1-7-2-3-8(16)4-12(7)21(19,20)17-9-5-10(14)13(18)11(15)6-9/h2-6,17-18H,1H3.
What are the key properties of N-(3,5-dichloro-4-hydroxyphenyl)-5-fluoro-2-methylbenzenesulfonamide?
N-(3,5-dichloro-4-hydroxyphenyl)-5-fluoro-2-methylbenzenesulfonamide has a molecular weight of 350.20 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-hydroxyphenyl)-5-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 82880647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).