N-(2-aminophenyl)-2,5-dichlorobenzenesulfonamide

C12H10Cl2N2O2S — CID 43344025

IUPACN-(2-aminophenyl)-2,5-dichlorobenzenesulfonamide
SMILESNc1ccccc1NS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H10Cl2N2O2S/c13-8-5-6-9(14)12(7-8)19(17,18)16-11-4-2-1-3-10(11)15/h1-7,16H,15H2
InChIKeyUMGYMCLRTQVPRW-UHFFFAOYSA-N
MW317.20 g/mol
LogP3.38
Rot. Bonds3

About N-(2-aminophenyl)-2,5-dichlorobenzenesulfonamide

N-(2-aminophenyl)-2,5-dichlorobenzenesulfonamide (PubChem CID 43344025) has the molecular formula C12H10Cl2N2O2S and a molecular weight of 317.20 g/mol. Its IUPAC name is N-(2-aminophenyl)-2,5-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2,5-dichlorobenzenesulfonamide
PubChem CID43344025
Molecular FormulaC12H10Cl2N2O2S
Molecular Weight317.20 g/mol
Exact Mass315.98
IUPAC NameN-(2-aminophenyl)-2,5-dichlorobenzenesulfonamide
SMILESNc1ccccc1NS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H10Cl2N2O2S/c13-8-5-6-9(14)12(7-8)19(17,18)16-11-4-2-1-3-10(11)15/h1-7,16H,15H2
InChIKeyUMGYMCLRTQVPRW-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

N-(2-amino-4-hydroxyphenyl)-2,5-dichlorobenzenesulfonamide
CID 107697838
2,5-dichloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
CID 43606052
2,4-dichloro-N-[2-[(2,4-dichlorophenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 70137943
N-(2-bromo-4-chlorophenyl)-2,5-dichlorobenzenesulfonamide
CID 81273911
5-amino-2-chloro-N-(2-chlorophenyl)-4-fluorobenzenesulfonamide
CID 61110957
2-[(2-amino-5-chlorophenyl)sulfonylamino]benzamide
CID 60986317
5-chloro-2-fluoro-N-(2-fluorophenyl)benzenesulfonamide
CID 110759379
2,5-dichloro-N-(2-chloro-4-fluorophenyl)benzenesulfonamide
CID 26969901
2,5-dichloro-N-(2,4-difluorophenyl)benzenesulfonamide
CID 3702583
2,5-dichloro-N-(2,5-dichlorophenyl)sulfonylbenzenesulfonamide
CID 121010955
N-(2-amino-4,6-dibromophenyl)-2,5-dichlorobenzenesulfonamide
CID 43550659
2-[(2,5-dichlorophenyl)sulfonylamino]-6-fluorobenzoic acid
CID 51116002

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2,5-dichlorobenzenesulfonamide?
The IUPAC name of N-(2-aminophenyl)-2,5-dichlorobenzenesulfonamide (CID 43344025) is N-(2-aminophenyl)-2,5-dichlorobenzenesulfonamide.
What is the SMILES notation for N-(2-aminophenyl)-2,5-dichlorobenzenesulfonamide?
The canonical SMILES for N-(2-aminophenyl)-2,5-dichlorobenzenesulfonamide is Nc1ccccc1NS(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2-aminophenyl)-2,5-dichlorobenzenesulfonamide?
The InChIKey is UMGYMCLRTQVPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O2S/c13-8-5-6-9(14)12(7-8)19(17,18)16-11-4-2-1-3-10(11)15/h1-7,16H,15H2.
What are the key properties of N-(2-aminophenyl)-2,5-dichlorobenzenesulfonamide?
N-(2-aminophenyl)-2,5-dichlorobenzenesulfonamide 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 N-(2-aminophenyl)-2,5-dichlorobenzenesulfonamide is sourced from PubChem (CID 43344025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).