6-amino-N-(3,4-dichlorophenyl)-2,3-dimethylbenzenesulfonamide

C14H14Cl2N2O2S — CID 43258376

IUPAC6-amino-N-(3,4-dichlorophenyl)-2,3-dimethylbenzenesulfonamide
SMILESCc1ccc(N)c(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)c1C
InChIInChI=1S/C14H14Cl2N2O2S/c1-8-3-6-13(17)14(9(8)2)21(19,20)18-10-4-5-11(15)12(16)7-10/h3-7,18H,17H2,1-2H3
InChIKeyYJOYDDQRVAJVFY-UHFFFAOYSA-N
MW345.25 g/mol
LogP3.99
Rot. Bonds3

About 6-amino-N-(3,4-dichlorophenyl)-2,3-dimethylbenzenesulfonamide

6-amino-N-(3,4-dichlorophenyl)-2,3-dimethylbenzenesulfonamide (PubChem CID 43258376) has the molecular formula C14H14Cl2N2O2S and a molecular weight of 345.25 g/mol. Its IUPAC name is 6-amino-N-(3,4-dichlorophenyl)-2,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name6-amino-N-(3,4-dichlorophenyl)-2,3-dimethylbenzenesulfonamide
PubChem CID43258376
Molecular FormulaC14H14Cl2N2O2S
Molecular Weight345.25 g/mol
Exact Mass344.02
IUPAC Name6-amino-N-(3,4-dichlorophenyl)-2,3-dimethylbenzenesulfonamide
SMILESCc1ccc(N)c(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)c1C
InChIInChI=1S/C14H14Cl2N2O2S/c1-8-3-6-13(17)14(9(8)2)21(19,20)18-10-4-5-11(15)12(16)7-10/h3-7,18H,17H2,1-2H3
InChIKeyYJOYDDQRVAJVFY-UHFFFAOYSA-N
XLogP3.99
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.25
LogP ≤ 53.99
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

6-amino-N-(4-bromophenyl)-2,3-dimethylbenzenesulfonamide
CID 43257564
3-amino-N-(3-chloro-4-fluorophenyl)-2,6-dimethylbenzenesulfonamide
CID 43258685
6-amino-2,3-dimethyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584499
6-amino-N-(4-chloro-2-methylphenyl)-2,3-dimethylbenzenesulfonamide
CID 43258446
6-amino-2,3-dimethyl-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 62903477
6-amino-N-(5-chloro-2-fluorophenyl)-2,3-dimethylbenzenesulfonamide
CID 43438179
3-amino-5-bromo-N-(3,4-dichlorophenyl)-2-methylbenzenesulfonamide
CID 114378718
2-amino-4,6-dichloro-N-(3,4-dimethylphenyl)benzenesulfonamide
CID 43255926
4-amino-N-(3-chloro-4-methylphenyl)-2,6-difluorobenzenesulfonamide
CID 60985629
2-amino-N-(4-chloro-3-fluorophenyl)-3,6-dimethylbenzenesulfonamide
CID 103171347
N-(3,4-dichlorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 26952341
3-amino-N-(3-fluoro-4-methylphenyl)-2,6-dimethylbenzenesulfonamide
CID 43257764

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(3,4-dichlorophenyl)-2,3-dimethylbenzenesulfonamide?
The IUPAC name of 6-amino-N-(3,4-dichlorophenyl)-2,3-dimethylbenzenesulfonamide (CID 43258376) is 6-amino-N-(3,4-dichlorophenyl)-2,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 6-amino-N-(3,4-dichlorophenyl)-2,3-dimethylbenzenesulfonamide?
The canonical SMILES for 6-amino-N-(3,4-dichlorophenyl)-2,3-dimethylbenzenesulfonamide is Cc1ccc(N)c(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)c1C.
What is the InChIKey of 6-amino-N-(3,4-dichlorophenyl)-2,3-dimethylbenzenesulfonamide?
The InChIKey is YJOYDDQRVAJVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2S/c1-8-3-6-13(17)14(9(8)2)21(19,20)18-10-4-5-11(15)12(16)7-10/h3-7,18H,17H2,1-2H3.
What are the key properties of 6-amino-N-(3,4-dichlorophenyl)-2,3-dimethylbenzenesulfonamide?
6-amino-N-(3,4-dichlorophenyl)-2,3-dimethylbenzenesulfonamide has a molecular weight of 345.25 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(3,4-dichlorophenyl)-2,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 43258376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).