2-amino-4-chloro-N-(3,5-dimethylphenyl)-N-methylbenzenesulfonamide

C15H17ClN2O2S — CID 62001628

IUPAC2-amino-4-chloro-N-(3,5-dimethylphenyl)-N-methylbenzenesulfonamide
SMILESCc1cc(C)cc(N(C)S(=O)(=O)c2ccc(Cl)cc2N)c1
InChIInChI=1S/C15H17ClN2O2S/c1-10-6-11(2)8-13(7-10)18(3)21(19,20)15-5-4-12(16)9-14(15)17/h4-9H,17H2,1-3H3
InChIKeyANAAXFIUVZYPPY-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.36
Rot. Bonds3

About 2-amino-4-chloro-N-(3,5-dimethylphenyl)-N-methylbenzenesulfonamide

2-amino-4-chloro-N-(3,5-dimethylphenyl)-N-methylbenzenesulfonamide (PubChem CID 62001628) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 2-amino-4-chloro-N-(3,5-dimethylphenyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-(3,5-dimethylphenyl)-N-methylbenzenesulfonamide
PubChem CID62001628
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name2-amino-4-chloro-N-(3,5-dimethylphenyl)-N-methylbenzenesulfonamide
SMILESCc1cc(C)cc(N(C)S(=O)(=O)c2ccc(Cl)cc2N)c1
InChIInChI=1S/C15H17ClN2O2S/c1-10-6-11(2)8-13(7-10)18(3)21(19,20)15-5-4-12(16)9-14(15)17/h4-9H,17H2,1-3H3
InChIKeyANAAXFIUVZYPPY-UHFFFAOYSA-N
XLogP3.36
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-(3,5-dimethylphenyl)-N-methylbenzenesulfonamide?
The IUPAC name of 2-amino-4-chloro-N-(3,5-dimethylphenyl)-N-methylbenzenesulfonamide (CID 62001628) is 2-amino-4-chloro-N-(3,5-dimethylphenyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-4-chloro-N-(3,5-dimethylphenyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-4-chloro-N-(3,5-dimethylphenyl)-N-methylbenzenesulfonamide is Cc1cc(C)cc(N(C)S(=O)(=O)c2ccc(Cl)cc2N)c1.
What is the InChIKey of 2-amino-4-chloro-N-(3,5-dimethylphenyl)-N-methylbenzenesulfonamide?
The InChIKey is ANAAXFIUVZYPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-10-6-11(2)8-13(7-10)18(3)21(19,20)15-5-4-12(16)9-14(15)17/h4-9H,17H2,1-3H3.
What are the key properties of 2-amino-4-chloro-N-(3,5-dimethylphenyl)-N-methylbenzenesulfonamide?
2-amino-4-chloro-N-(3,5-dimethylphenyl)-N-methylbenzenesulfonamide has a molecular weight of 324.83 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-(3,5-dimethylphenyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 62001628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).