3-amino-N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzenesulfonamide

C15H17ClN2O2S — CID 79885869

IUPAC3-amino-N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C)cc(N)c2C)c(Cl)c1
InChIInChI=1S/C15H17ClN2O2S/c1-9-4-5-14(12(16)6-9)18-21(19,20)15-8-10(2)7-13(17)11(15)3/h4-8,18H,17H2,1-3H3
InChIKeyHDVMCUMOYJULHB-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.65
Rot. Bonds3

About 3-amino-N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzenesulfonamide

3-amino-N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzenesulfonamide (PubChem CID 79885869) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 3-amino-N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzenesulfonamide
PubChem CID79885869
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name3-amino-N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C)cc(N)c2C)c(Cl)c1
InChIInChI=1S/C15H17ClN2O2S/c1-9-4-5-14(12(16)6-9)18-21(19,20)15-8-10(2)7-13(17)11(15)3/h4-8,18H,17H2,1-3H3
InChIKeyHDVMCUMOYJULHB-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

2-amino-N-(4-bromo-2-chlorophenyl)-4-methylbenzenesulfonamide
CID 43258932
3-amino-N-(3-chloro-2-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 79885971
3-amino-N-(4-bromo-2-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 79884837
3-amino-2,5-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 79889224
N-(2-amino-4-methylphenyl)-4-bromo-2-chlorobenzenesulfonamide
CID 43259134
3-amino-4-chloro-N-(2-chloro-4-methylphenyl)benzenesulfonamide
CID 28967482
2-amino-5-bromo-N-(2-chloro-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 106491352
N-(3-amino-2,4-dimethylphenyl)-2-chloro-4-methylbenzenesulfonamide
CID 60971720
3-amino-N-(2-bromo-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 79885868
3-amino-N-(3-chloro-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 79885675
3-amino-2,5-dimethyl-N-(2-methyl-3-pyridinyl)benzenesulfonamide
CID 79889757
4-amino-3-bromo-N-(2-chloro-4-methylphenyl)benzenesulfonamide
CID 62058562

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzenesulfonamide (CID 79885869) is 3-amino-N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzenesulfonamide is Cc1ccc(NS(=O)(=O)c2cc(C)cc(N)c2C)c(Cl)c1.
What is the InChIKey of 3-amino-N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzenesulfonamide?
The InChIKey is HDVMCUMOYJULHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-9-4-5-14(12(16)6-9)18-21(19,20)15-8-10(2)7-13(17)11(15)3/h4-8,18H,17H2,1-3H3.
What are the key properties of 3-amino-N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzenesulfonamide?
3-amino-N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzenesulfonamide 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 3-amino-N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 79885869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).