N-(2-amino-4-hydroxyphenyl)-3,4-dichlorobenzenesulfonamide

C12H10Cl2N2O3S — CID 107697982

IUPACN-(2-amino-4-hydroxyphenyl)-3,4-dichlorobenzenesulfonamide
SMILESNc1cc(O)ccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H10Cl2N2O3S/c13-9-3-2-8(6-10(9)14)20(18,19)16-12-4-1-7(17)5-11(12)15/h1-6,16-17H,15H2
InChIKeyDFDXZTZXNBYGSH-UHFFFAOYSA-N
MW333.20 g/mol
LogP3.08
Rot. Bonds3

About N-(2-amino-4-hydroxyphenyl)-3,4-dichlorobenzenesulfonamide

N-(2-amino-4-hydroxyphenyl)-3,4-dichlorobenzenesulfonamide (PubChem CID 107697982) has the molecular formula C12H10Cl2N2O3S and a molecular weight of 333.20 g/mol. Its IUPAC name is N-(2-amino-4-hydroxyphenyl)-3,4-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-4-hydroxyphenyl)-3,4-dichlorobenzenesulfonamide
PubChem CID107697982
Molecular FormulaC12H10Cl2N2O3S
Molecular Weight333.20 g/mol
Exact Mass331.98
IUPAC NameN-(2-amino-4-hydroxyphenyl)-3,4-dichlorobenzenesulfonamide
SMILESNc1cc(O)ccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H10Cl2N2O3S/c13-9-3-2-8(6-10(9)14)20(18,19)16-12-4-1-7(17)5-11(12)15/h1-6,16-17H,15H2
InChIKeyDFDXZTZXNBYGSH-UHFFFAOYSA-N
XLogP3.08
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.20
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-bromophenyl)-3,4-dichlorobenzenesulfonamide
CID 43344070
N-(2-amino-4-cyanophenyl)-3,4-dichlorobenzenesulfonamide
CID 78965173
N-(2-amino-4-hydroxyphenyl)-2,5-dichlorobenzenesulfonamide
CID 107697838
3,4-dichloro-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 4693261
3,4-dichloro-N-(4-fluoro-2-hydroxyphenyl)benzenesulfonamide
CID 63677626
N-(2-amino-4-hydroxyphenyl)-3-cyanobenzenesulfonamide
CID 107697986
N-(2-amino-4,6-dibromophenyl)-3,4-dichlorobenzenesulfonamide
CID 43550658
3-bromo-4-chloro-N-(4-hydroxy-2-methylphenyl)benzenesulfonamide
CID 106606177
3,4-dichloro-N-(2-chloro-4-fluorophenyl)benzenesulfonamide
CID 26969900
3-amino-N-(4-bromo-2-chlorophenyl)-4-hydroxybenzenesulfonamide
CID 43347164
3,4-dichlorobenzenesulfonohydrazide
CID 2735965
1-(2-amino-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
CID 107698053

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-hydroxyphenyl)-3,4-dichlorobenzenesulfonamide?
The IUPAC name of N-(2-amino-4-hydroxyphenyl)-3,4-dichlorobenzenesulfonamide (CID 107697982) is N-(2-amino-4-hydroxyphenyl)-3,4-dichlorobenzenesulfonamide.
What is the SMILES notation for N-(2-amino-4-hydroxyphenyl)-3,4-dichlorobenzenesulfonamide?
The canonical SMILES for N-(2-amino-4-hydroxyphenyl)-3,4-dichlorobenzenesulfonamide is Nc1cc(O)ccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(2-amino-4-hydroxyphenyl)-3,4-dichlorobenzenesulfonamide?
The InChIKey is DFDXZTZXNBYGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O3S/c13-9-3-2-8(6-10(9)14)20(18,19)16-12-4-1-7(17)5-11(12)15/h1-6,16-17H,15H2.
What are the key properties of N-(2-amino-4-hydroxyphenyl)-3,4-dichlorobenzenesulfonamide?
N-(2-amino-4-hydroxyphenyl)-3,4-dichlorobenzenesulfonamide has a molecular weight of 333.20 g/mol, XLogP of 3.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-hydroxyphenyl)-3,4-dichlorobenzenesulfonamide is sourced from PubChem (CID 107697982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).