4-amino-N-(2,5-dichlorophenyl)benzenesulfonamide

C12H10Cl2N2O2S — CID 28590083

IUPAC4-amino-N-(2,5-dichlorophenyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C12H10Cl2N2O2S/c13-8-1-6-11(14)12(7-8)16-19(17,18)10-4-2-9(15)3-5-10/h1-7,16H,15H2
InChIKeyPQUPSQYCUSDJGL-UHFFFAOYSA-N
MW317.20 g/mol
LogP3.38
Rot. Bonds3

About 4-amino-N-(2,5-dichlorophenyl)benzenesulfonamide

4-amino-N-(2,5-dichlorophenyl)benzenesulfonamide (PubChem CID 28590083) has the molecular formula C12H10Cl2N2O2S and a molecular weight of 317.20 g/mol. Its IUPAC name is 4-amino-N-(2,5-dichlorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(2,5-dichlorophenyl)benzenesulfonamide
PubChem CID28590083
Molecular FormulaC12H10Cl2N2O2S
Molecular Weight317.20 g/mol
Exact Mass315.98
IUPAC Name4-amino-N-(2,5-dichlorophenyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C12H10Cl2N2O2S/c13-8-1-6-11(14)12(7-8)16-19(17,18)10-4-2-9(15)3-5-10/h1-7,16H,15H2
InChIKeyPQUPSQYCUSDJGL-UHFFFAOYSA-N
XLogP3.38
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(2-bromo-5-chlorophenyl)benzenesulfonamide
CID 81263027
4-amino-3-bromo-N-(2,5-dichlorophenyl)benzenesulfonamide
CID 62057861
N-(2,5-dichlorophenyl)-4-(methylamino)benzenesulfonamide
CID 43332038
4-bromo-N-(2,5-dichlorophenyl)-3-fluorobenzenesulfonamide
CID 97161953
4-amino-N-(2,5-dichlorophenyl)thiophene-2-sulfonamide
CID 61299181
4-[(2,5-dichlorophenyl)sulfamoyl]-N,N-dimethylbenzamide
CID 110676923
N-(2,4-dichlorophenyl)-4-methylsulfonylbenzenesulfonamide
CID 46534846
4-amino-N-(2,5-difluorophenyl)benzenesulfonamide
CID 2730891
N-(5-amino-2-fluorophenyl)-3-chloro-4-fluorobenzenesulfonamide
CID 43604966
N-(2-amino-5-chlorophenyl)-3,4-difluorobenzenesulfonamide
CID 43343902
N-(5-amino-2-chlorophenyl)-3-bromobenzenesulfonamide
CID 43550719
N-(2,5-dichlorophenyl)pyridine-3-sulfonamide
CID 16638548

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,5-dichlorophenyl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(2,5-dichlorophenyl)benzenesulfonamide (CID 28590083) is 4-amino-N-(2,5-dichlorophenyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(2,5-dichlorophenyl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(2,5-dichlorophenyl)benzenesulfonamide is Nc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 4-amino-N-(2,5-dichlorophenyl)benzenesulfonamide?
The InChIKey is PQUPSQYCUSDJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O2S/c13-8-1-6-11(14)12(7-8)16-19(17,18)10-4-2-9(15)3-5-10/h1-7,16H,15H2.
What are the key properties of 4-amino-N-(2,5-dichlorophenyl)benzenesulfonamide?
4-amino-N-(2,5-dichlorophenyl)benzenesulfonamide has a molecular weight of 317.20 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,5-dichlorophenyl)benzenesulfonamide is sourced from PubChem (CID 28590083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).