N-(4-aminophenyl)-3,4-dichloro-N-methylbenzenesulfonamide

C13H12Cl2N2O2S — CID 43344069

IUPACN-(4-aminophenyl)-3,4-dichloro-N-methylbenzenesulfonamide
SMILESCN(c1ccc(N)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H12Cl2N2O2S/c1-17(10-4-2-9(16)3-5-10)20(18,19)11-6-7-12(14)13(15)8-11/h2-8H,16H2,1H3
InChIKeyMKTUVXBIPCFGCR-UHFFFAOYSA-N
MW331.22 g/mol
LogP3.40
Rot. Bonds3

About N-(4-aminophenyl)-3,4-dichloro-N-methylbenzenesulfonamide

N-(4-aminophenyl)-3,4-dichloro-N-methylbenzenesulfonamide (PubChem CID 43344069) has the molecular formula C13H12Cl2N2O2S and a molecular weight of 331.22 g/mol. Its IUPAC name is N-(4-aminophenyl)-3,4-dichloro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-3,4-dichloro-N-methylbenzenesulfonamide
PubChem CID43344069
Molecular FormulaC13H12Cl2N2O2S
Molecular Weight331.22 g/mol
Exact Mass330.00
IUPAC NameN-(4-aminophenyl)-3,4-dichloro-N-methylbenzenesulfonamide
SMILESCN(c1ccc(N)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H12Cl2N2O2S/c1-17(10-4-2-9(16)3-5-10)20(18,19)11-6-7-12(14)13(15)8-11/h2-8H,16H2,1H3
InChIKeyMKTUVXBIPCFGCR-UHFFFAOYSA-N
XLogP3.40
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-N,3,4-trimethylbenzenesulfonamide
CID 28941396
N-(4-aminophenyl)-4-bromo-2-chloro-N-methylbenzenesulfonamide
CID 28941589
N-(3-amino-4-chlorophenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 39457127
N-(3,4-dichlorophenyl)-N-methyl-3-nitrobenzenesulfonamide
CID 100523584
3-chloro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 94621880
3-amino-4-chloro-N-(3-fluorophenyl)-N-methylbenzenesulfonamide
CID 58022194
3-chloro-N-(4-fluorophenyl)-4-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 107090740
3-bromo-4-chloro-N-(4-cyanophenyl)-N-methylbenzenesulfonamide
CID 106605814
4-amino-N-(6-chloropyrimidin-4-yl)-N-methylbenzenesulfonamide
CID 131873031
2-chloro-5-[methyl(phenyl)sulfamoyl]-N,N-di(propan-2-yl)benzamide
CID 78843267
3-amino-5-chloro-N-methyl-N-phenylbenzenesulfonamide
CID 23206269
N-(3-aminopropyl)-3,4-dichloro-N-methylbenzenesulfonamide
CID 98781428

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-3,4-dichloro-N-methylbenzenesulfonamide?
The IUPAC name of N-(4-aminophenyl)-3,4-dichloro-N-methylbenzenesulfonamide (CID 43344069) is N-(4-aminophenyl)-3,4-dichloro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-aminophenyl)-3,4-dichloro-N-methylbenzenesulfonamide?
The canonical SMILES for N-(4-aminophenyl)-3,4-dichloro-N-methylbenzenesulfonamide is CN(c1ccc(N)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(4-aminophenyl)-3,4-dichloro-N-methylbenzenesulfonamide?
The InChIKey is MKTUVXBIPCFGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O2S/c1-17(10-4-2-9(16)3-5-10)20(18,19)11-6-7-12(14)13(15)8-11/h2-8H,16H2,1H3.
What are the key properties of N-(4-aminophenyl)-3,4-dichloro-N-methylbenzenesulfonamide?
N-(4-aminophenyl)-3,4-dichloro-N-methylbenzenesulfonamide has a molecular weight of 331.22 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-3,4-dichloro-N-methylbenzenesulfonamide is sourced from PubChem (CID 43344069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).