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

C15H17ClN2O2S — CID 29298879

IUPAC3-amino-5-chloro-N-(2,4-dimethylphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(N)c(C)c(Cl)c2)c(C)c1
InChIInChI=1S/C15H17ClN2O2S/c1-9-4-5-15(10(2)6-9)18-21(19,20)12-7-13(16)11(3)14(17)8-12/h4-8,18H,17H2,1-3H3
InChIKeyFFHFBTIUAJAUGO-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.65
Rot. Bonds3

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

3-amino-5-chloro-N-(2,4-dimethylphenyl)-4-methylbenzenesulfonamide (PubChem CID 29298879) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 3-amino-5-chloro-N-(2,4-dimethylphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-N-(2,4-dimethylphenyl)-4-methylbenzenesulfonamide
PubChem CID29298879
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name3-amino-5-chloro-N-(2,4-dimethylphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(N)c(C)c(Cl)c2)c(C)c1
InChIInChI=1S/C15H17ClN2O2S/c1-9-4-5-15(10(2)6-9)18-21(19,20)12-7-13(16)11(3)14(17)8-12/h4-8,18H,17H2,1-3H3
InChIKeyFFHFBTIUAJAUGO-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

3-amino-5-chloro-N-(4-chloro-2-fluorophenyl)-4-methylbenzenesulfonamide
CID 61107975
3-amino-5-chloro-N-(2-iodophenyl)-4-methylbenzenesulfonamide
CID 43124650
3-amino-4-chloro-N-(2-chloro-4-methylphenyl)benzenesulfonamide
CID 28967482
3-amino-N-(4-bromo-2-chlorophenyl)-4,5-dimethylbenzenesulfonamide
CID 43168118
5-chloro-N-(2,4-dimethylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64608237
3-amino-N-(2-chloro-5-methylphenyl)-4-fluoro-5-methylbenzenesulfonamide
CID 107624529
N-(2,4-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104337
4-amino-3-chloro-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
CID 115329584
3-amino-N-(4-chloro-2-methylphenyl)-5-methylbenzenesulfonamide
CID 43256506
3-amino-N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzenesulfonamide
CID 79885869
3-amino-N-(5-chloro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 28525479
3-amino-5-chloro-4-methyl-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 62904150

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-N-(2,4-dimethylphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-N-(2,4-dimethylphenyl)-4-methylbenzenesulfonamide (CID 29298879) is 3-amino-5-chloro-N-(2,4-dimethylphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-N-(2,4-dimethylphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-N-(2,4-dimethylphenyl)-4-methylbenzenesulfonamide is Cc1ccc(NS(=O)(=O)c2cc(N)c(C)c(Cl)c2)c(C)c1.
What is the InChIKey of 3-amino-5-chloro-N-(2,4-dimethylphenyl)-4-methylbenzenesulfonamide?
The InChIKey is FFHFBTIUAJAUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-9-4-5-15(10(2)6-9)18-21(19,20)12-7-13(16)11(3)14(17)8-12/h4-8,18H,17H2,1-3H3.
What are the key properties of 3-amino-5-chloro-N-(2,4-dimethylphenyl)-4-methylbenzenesulfonamide?
3-amino-5-chloro-N-(2,4-dimethylphenyl)-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 3-amino-5-chloro-N-(2,4-dimethylphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 29298879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).