1-(2-aminophenyl)-N-(2,3-dimethylphenyl)methanesulfonamide

C15H18N2O2S — CID 62021830

IUPAC1-(2-aminophenyl)-N-(2,3-dimethylphenyl)methanesulfonamide
SMILESCc1cccc(NS(=O)(=O)Cc2ccccc2N)c1C
InChIInChI=1S/C15H18N2O2S/c1-11-6-5-9-15(12(11)2)17-20(18,19)10-13-7-3-4-8-14(13)16/h3-9,17H,10,16H2,1-2H3
InChIKeyTXEBYDOHPQGPTJ-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.83
Rot. Bonds4

About 1-(2-aminophenyl)-N-(2,3-dimethylphenyl)methanesulfonamide

1-(2-aminophenyl)-N-(2,3-dimethylphenyl)methanesulfonamide (PubChem CID 62021830) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-(2-aminophenyl)-N-(2,3-dimethylphenyl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-aminophenyl)-N-(2,3-dimethylphenyl)methanesulfonamide
PubChem CID62021830
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name1-(2-aminophenyl)-N-(2,3-dimethylphenyl)methanesulfonamide
SMILESCc1cccc(NS(=O)(=O)Cc2ccccc2N)c1C
InChIInChI=1S/C15H18N2O2S/c1-11-6-5-9-15(12(11)2)17-20(18,19)10-13-7-3-4-8-14(13)16/h3-9,17H,10,16H2,1-2H3
InChIKeyTXEBYDOHPQGPTJ-UHFFFAOYSA-N
XLogP2.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.83
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

1-(2-aminophenyl)-N-(2,3-dichlorophenyl)methanesulfonamide
CID 62021843
1-chloro-N-(2,3-dimethylphenyl)methanesulfonamide
CID 63665725
1-(2-aminophenyl)-N-(2-methoxy-4-methylphenyl)methanesulfonamide
CID 62020535
1-(4-chlorophenyl)-N-(2,3-dimethylphenyl)methanesulfonamide
CID 18891284
2-(2-aminophenyl)-N-(2,3-dimethylphenyl)acetamide
CID 16794842
1-(2-aminophenyl)-N-ethylmethanesulfonamide
CID 62021443
1-(3-aminophenyl)-N-(2-methylphenyl)methanesulfonamide
CID 43256226
N-methyl-2-[(2-methylphenyl)methylsulfonylamino]benzenesulfonamide
CID 167899104
1-(2-aminophenyl)-N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide
CID 62019955
1-(2-aminophenyl)-N-(2-methylpyrazol-3-yl)methanesulfonamide
CID 62022653
3-[(2-aminophenyl)methylsulfonylamino]benzamide
CID 62021088
1-(2-chlorophenyl)-N-(2-methyl-3-nitrophenyl)methanesulfonamide
CID 17257593

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-N-(2,3-dimethylphenyl)methanesulfonamide?
The IUPAC name of 1-(2-aminophenyl)-N-(2,3-dimethylphenyl)methanesulfonamide (CID 62021830) is 1-(2-aminophenyl)-N-(2,3-dimethylphenyl)methanesulfonamide.
What is the SMILES notation for 1-(2-aminophenyl)-N-(2,3-dimethylphenyl)methanesulfonamide?
The canonical SMILES for 1-(2-aminophenyl)-N-(2,3-dimethylphenyl)methanesulfonamide is Cc1cccc(NS(=O)(=O)Cc2ccccc2N)c1C.
What is the InChIKey of 1-(2-aminophenyl)-N-(2,3-dimethylphenyl)methanesulfonamide?
The InChIKey is TXEBYDOHPQGPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-11-6-5-9-15(12(11)2)17-20(18,19)10-13-7-3-4-8-14(13)16/h3-9,17H,10,16H2,1-2H3.
What are the key properties of 1-(2-aminophenyl)-N-(2,3-dimethylphenyl)methanesulfonamide?
1-(2-aminophenyl)-N-(2,3-dimethylphenyl)methanesulfonamide has a molecular weight of 290.39 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-N-(2,3-dimethylphenyl)methanesulfonamide is sourced from PubChem (CID 62021830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).