3,4-dichloro-N-(4-fluoro-2-hydroxyphenyl)benzenesulfonamide

C12H8Cl2FNO3S — CID 63677626

IUPAC3,4-dichloro-N-(4-fluoro-2-hydroxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H8Cl2FNO3S/c13-9-3-2-8(6-10(9)14)20(18,19)16-11-4-1-7(15)5-12(11)17/h1-6,16-17H
InChIKeyUMTUZLLYXKGRKL-UHFFFAOYSA-N
MW336.17 g/mol
LogP3.64
Rot. Bonds3

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

3,4-dichloro-N-(4-fluoro-2-hydroxyphenyl)benzenesulfonamide (PubChem CID 63677626) has the molecular formula C12H8Cl2FNO3S and a molecular weight of 336.17 g/mol. Its IUPAC name is 3,4-dichloro-N-(4-fluoro-2-hydroxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-(4-fluoro-2-hydroxyphenyl)benzenesulfonamide
PubChem CID63677626
Molecular FormulaC12H8Cl2FNO3S
Molecular Weight336.17 g/mol
Exact Mass334.96
IUPAC Name3,4-dichloro-N-(4-fluoro-2-hydroxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H8Cl2FNO3S/c13-9-3-2-8(6-10(9)14)20(18,19)16-11-4-1-7(15)5-12(11)17/h1-6,16-17H
InChIKeyUMTUZLLYXKGRKL-UHFFFAOYSA-N
XLogP3.64
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.17
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3,4-dichloro-N-(2-chloro-4-fluorophenyl)benzenesulfonamide
CID 26969900
3,4-dichloro-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
CID 8501117
3,4-dichloro-N-(2-cyano-4-fluorophenyl)benzenesulfonamide
CID 82682816
3,4-dichloro-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 4693261
N-(2-amino-4-hydroxyphenyl)-3,4-dichlorobenzenesulfonamide
CID 107697982
3-chloro-N-(4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide
CID 5003390
N-[2-[(4-chloro-3-methylphenyl)sulfonylamino]-4-fluorophenyl]acetamide
CID 113093031
4-[(4-fluorophenyl)sulfonylamino]-3-hydroxybenzoic acid
CID 60827855
N-(2-amino-5-fluorophenyl)-3-chloro-4-fluorobenzenesulfonamide
CID 63257691
3,4-dichloro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 3460603
N-(3,4-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 711099
N-(2-amino-4-bromophenyl)-3,4-dichlorobenzenesulfonamide
CID 43344070

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(4-fluoro-2-hydroxyphenyl)benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-(4-fluoro-2-hydroxyphenyl)benzenesulfonamide (CID 63677626) is 3,4-dichloro-N-(4-fluoro-2-hydroxyphenyl)benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-(4-fluoro-2-hydroxyphenyl)benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-(4-fluoro-2-hydroxyphenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(F)cc1O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(4-fluoro-2-hydroxyphenyl)benzenesulfonamide?
The InChIKey is UMTUZLLYXKGRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2FNO3S/c13-9-3-2-8(6-10(9)14)20(18,19)16-11-4-1-7(15)5-12(11)17/h1-6,16-17H.
What are the key properties of 3,4-dichloro-N-(4-fluoro-2-hydroxyphenyl)benzenesulfonamide?
3,4-dichloro-N-(4-fluoro-2-hydroxyphenyl)benzenesulfonamide has a molecular weight of 336.17 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(4-fluoro-2-hydroxyphenyl)benzenesulfonamide is sourced from PubChem (CID 63677626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).