3-amino-N-(2-chlorophenyl)-2,6-dimethylbenzenesulfonamide

C14H15ClN2O2S — CID 43257589

IUPAC3-amino-N-(2-chlorophenyl)-2,6-dimethylbenzenesulfonamide
SMILESCc1ccc(N)c(C)c1S(=O)(=O)Nc1ccccc1Cl
InChIInChI=1S/C14H15ClN2O2S/c1-9-7-8-12(16)10(2)14(9)20(18,19)17-13-6-4-3-5-11(13)15/h3-8,17H,16H2,1-2H3
InChIKeyJUVAFHXTTPQCLD-UHFFFAOYSA-N
MW310.81 g/mol
LogP3.34
Rot. Bonds3

About 3-amino-N-(2-chlorophenyl)-2,6-dimethylbenzenesulfonamide

3-amino-N-(2-chlorophenyl)-2,6-dimethylbenzenesulfonamide (PubChem CID 43257589) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is 3-amino-N-(2-chlorophenyl)-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-chlorophenyl)-2,6-dimethylbenzenesulfonamide
PubChem CID43257589
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Name3-amino-N-(2-chlorophenyl)-2,6-dimethylbenzenesulfonamide
SMILESCc1ccc(N)c(C)c1S(=O)(=O)Nc1ccccc1Cl
InChIInChI=1S/C14H15ClN2O2S/c1-9-7-8-12(16)10(2)14(9)20(18,19)17-13-6-4-3-5-11(13)15/h3-8,17H,16H2,1-2H3
InChIKeyJUVAFHXTTPQCLD-UHFFFAOYSA-N
XLogP3.34
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 53.34
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-N-(2,6-dibromophenyl)-2,6-dimethylbenzenesulfonamide
CID 107596340
3-amino-N-(3-chloro-4-fluorophenyl)-2,6-dimethylbenzenesulfonamide
CID 43258685
3-amino-N-(3,5-dimethylphenyl)-2,6-dimethylbenzenesulfonamide
CID 43257720
2-amino-N-(2,4-dichlorophenyl)-6-methylbenzenesulfonamide
CID 43452452
6-amino-N-(2-ethylphenyl)-2,3-dimethylbenzenesulfonamide
CID 43257782
N-(2-aminophenyl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 43605525
2-amino-N-(2,5-dichlorophenyl)-6-methylbenzenesulfonamide
CID 43452435
3-amino-N-(3-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide
CID 61166903
3-amino-2,6-dimethyl-N-propan-2-ylbenzenesulfonamide
CID 43256917
4-chloro-N-(2-chlorophenyl)-3-methylbenzenesulfonamide
CID 839413
2-amino-N-(2-chloro-5-methylphenyl)-3,6-dimethylbenzenesulfonamide
CID 107624506
5-tert-butyl-N-(2-chlorophenyl)-2-methylbenzenesulfonamide
CID 7938602

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-chlorophenyl)-2,6-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(2-chlorophenyl)-2,6-dimethylbenzenesulfonamide (CID 43257589) is 3-amino-N-(2-chlorophenyl)-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(2-chlorophenyl)-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(2-chlorophenyl)-2,6-dimethylbenzenesulfonamide is Cc1ccc(N)c(C)c1S(=O)(=O)Nc1ccccc1Cl.
What is the InChIKey of 3-amino-N-(2-chlorophenyl)-2,6-dimethylbenzenesulfonamide?
The InChIKey is JUVAFHXTTPQCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-9-7-8-12(16)10(2)14(9)20(18,19)17-13-6-4-3-5-11(13)15/h3-8,17H,16H2,1-2H3.
What are the key properties of 3-amino-N-(2-chlorophenyl)-2,6-dimethylbenzenesulfonamide?
3-amino-N-(2-chlorophenyl)-2,6-dimethylbenzenesulfonamide has a molecular weight of 310.81 g/mol, XLogP of 3.34, 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-chlorophenyl)-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 43257589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).