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

C15H17ClN2O2S — CID 60971720

IUPACN-(3-amino-2,4-dimethylphenyl)-2-chloro-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C)c(N)c2C)c(Cl)c1
InChIInChI=1S/C15H17ClN2O2S/c1-9-4-7-14(12(16)8-9)21(19,20)18-13-6-5-10(2)15(17)11(13)3/h4-8,18H,17H2,1-3H3
InChIKeyBOVBMRYVTKMITM-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.65
Rot. Bonds3

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

N-(3-amino-2,4-dimethylphenyl)-2-chloro-4-methylbenzenesulfonamide (PubChem CID 60971720) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is N-(3-amino-2,4-dimethylphenyl)-2-chloro-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,4-dimethylphenyl)-2-chloro-4-methylbenzenesulfonamide
PubChem CID60971720
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC NameN-(3-amino-2,4-dimethylphenyl)-2-chloro-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C)c(N)c2C)c(Cl)c1
InChIInChI=1S/C15H17ClN2O2S/c1-9-4-7-14(12(16)8-9)21(19,20)18-13-6-5-10(2)15(17)11(13)3/h4-8,18H,17H2,1-3H3
InChIKeyBOVBMRYVTKMITM-UHFFFAOYSA-N
XLogP3.65
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 53.65
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-methylphenyl)-4-bromo-2-chlorobenzenesulfonamide
CID 43259134
N-(3-amino-2,4-dimethylphenyl)-4-chloro-2-fluorobenzenesulfonamide
CID 60973193
2-chloro-N-[2-(methanesulfonamido)phenyl]-4-methylbenzenesulfonamide
CID 39837795
4-bromo-N-(2-bromo-4-methylphenyl)-2-chlorobenzenesulfonamide
CID 28829084
N-(3-amino-2,4-dimethylphenyl)-3,5-dichlorobenzenesulfonamide
CID 60971852
2-chloro-N-(2-fluoro-5-methylphenyl)-4-methylbenzenesulfonamide
CID 32673947
3-amino-N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzenesulfonamide
CID 79885869
N-(3-amino-2,4-dimethylphenyl)-3,5-dimethylbenzenesulfonamide
CID 60972705
3-[(2-chloro-4-methylphenyl)sulfonylamino]-4-methylbenzoic acid
CID 32673907
2-amino-N-(4-bromo-2-chlorophenyl)-4-methylbenzenesulfonamide
CID 43258932
4-bromo-2-chloro-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
CID 26979434
4-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzenesulfonamide
CID 28828912

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,4-dimethylphenyl)-2-chloro-4-methylbenzenesulfonamide?
The IUPAC name of N-(3-amino-2,4-dimethylphenyl)-2-chloro-4-methylbenzenesulfonamide (CID 60971720) is N-(3-amino-2,4-dimethylphenyl)-2-chloro-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-amino-2,4-dimethylphenyl)-2-chloro-4-methylbenzenesulfonamide?
The canonical SMILES for N-(3-amino-2,4-dimethylphenyl)-2-chloro-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(C)c(N)c2C)c(Cl)c1.
What is the InChIKey of N-(3-amino-2,4-dimethylphenyl)-2-chloro-4-methylbenzenesulfonamide?
The InChIKey is BOVBMRYVTKMITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-9-4-7-14(12(16)8-9)21(19,20)18-13-6-5-10(2)15(17)11(13)3/h4-8,18H,17H2,1-3H3.
What are the key properties of N-(3-amino-2,4-dimethylphenyl)-2-chloro-4-methylbenzenesulfonamide?
N-(3-amino-2,4-dimethylphenyl)-2-chloro-4-methylbenzenesulfonamide has a molecular weight of 324.83 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,4-dimethylphenyl)-2-chloro-4-methylbenzenesulfonamide is sourced from PubChem (CID 60971720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).