N-(5-amino-2-methylphenyl)-2,3-dichlorobenzenesulfonamide

C13H12Cl2N2O2S — CID 43605236

IUPACN-(5-amino-2-methylphenyl)-2,3-dichlorobenzenesulfonamide
SMILESCc1ccc(N)cc1NS(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H12Cl2N2O2S/c1-8-5-6-9(16)7-11(8)17-20(18,19)12-4-2-3-10(14)13(12)15/h2-7,17H,16H2,1H3
InChIKeyTZMUBEHJFWUWNX-UHFFFAOYSA-N
MW331.22 g/mol
LogP3.68
Rot. Bonds3

About N-(5-amino-2-methylphenyl)-2,3-dichlorobenzenesulfonamide

N-(5-amino-2-methylphenyl)-2,3-dichlorobenzenesulfonamide (PubChem CID 43605236) has the molecular formula C13H12Cl2N2O2S and a molecular weight of 331.22 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-2,3-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-2,3-dichlorobenzenesulfonamide
PubChem CID43605236
Molecular FormulaC13H12Cl2N2O2S
Molecular Weight331.22 g/mol
Exact Mass330.00
IUPAC NameN-(5-amino-2-methylphenyl)-2,3-dichlorobenzenesulfonamide
SMILESCc1ccc(N)cc1NS(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H12Cl2N2O2S/c1-8-5-6-9(16)7-11(8)17-20(18,19)12-4-2-3-10(14)13(12)15/h2-7,17H,16H2,1H3
InChIKeyTZMUBEHJFWUWNX-UHFFFAOYSA-N
XLogP3.68
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 53.68
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-(5-amino-2-methylphenyl)-2-bromobenzenesulfonamide
CID 28973446
N-(5-amino-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 16773575
5-amino-2-chloro-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 28528922
5-amino-N-(5-chloro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 28537891
5-amino-2-bromo-N-(2,3-dichlorophenyl)benzenesulfonamide
CID 65202096
N-(5-amino-2-fluorophenyl)-5-chloro-2-methylbenzenesulfonamide
CID 43604944
4-amino-2-bromo-N-(3-chloro-2-methylphenyl)benzenesulfonamide
CID 43256354
4-amino-2-chloro-N-(2,6-dichlorophenyl)benzenesulfonamide
CID 65470012
N-(3-amino-2,4,5-trifluorophenyl)-2,3-dichlorobenzenesulfonamide
CID 166081585
N-(4-amino-2-methoxyphenyl)-2-chlorobenzenesulfonamide
CID 43123342
5-chloro-N-(3-chloro-2-fluorophenyl)-2-methylbenzenesulfonamide
CID 38890087
4-amino-N-(2,6-dichloro-3-methylphenyl)-2-methylbenzenesulfonamide
CID 43258171

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-2,3-dichlorobenzenesulfonamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-2,3-dichlorobenzenesulfonamide (CID 43605236) is N-(5-amino-2-methylphenyl)-2,3-dichlorobenzenesulfonamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-2,3-dichlorobenzenesulfonamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-2,3-dichlorobenzenesulfonamide is Cc1ccc(N)cc1NS(=O)(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of N-(5-amino-2-methylphenyl)-2,3-dichlorobenzenesulfonamide?
The InChIKey is TZMUBEHJFWUWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O2S/c1-8-5-6-9(16)7-11(8)17-20(18,19)12-4-2-3-10(14)13(12)15/h2-7,17H,16H2,1H3.
What are the key properties of N-(5-amino-2-methylphenyl)-2,3-dichlorobenzenesulfonamide?
N-(5-amino-2-methylphenyl)-2,3-dichlorobenzenesulfonamide has a molecular weight of 331.22 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-2,3-dichlorobenzenesulfonamide is sourced from PubChem (CID 43605236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).