2-(5-amino-2-methylphenyl)sulfonyl-N-phenylacetamide

C15H16N2O3S — CID 81193245

IUPAC2-(5-amino-2-methylphenyl)sulfonyl-N-phenylacetamide
SMILESCc1ccc(N)cc1S(=O)(=O)CC(=O)Nc1ccccc1
InChIInChI=1S/C15H16N2O3S/c1-11-7-8-12(16)9-14(11)21(19,20)10-15(18)17-13-5-3-2-4-6-13/h2-9H,10,16H2,1H3,(H,17,18)
InChIKeyFOPJQSTXVXOGHC-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.99
Rot. Bonds4

About 2-(5-amino-2-methylphenyl)sulfonyl-N-phenylacetamide

2-(5-amino-2-methylphenyl)sulfonyl-N-phenylacetamide (PubChem CID 81193245) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-(5-amino-2-methylphenyl)sulfonyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(5-amino-2-methylphenyl)sulfonyl-N-phenylacetamide
PubChem CID81193245
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name2-(5-amino-2-methylphenyl)sulfonyl-N-phenylacetamide
SMILESCc1ccc(N)cc1S(=O)(=O)CC(=O)Nc1ccccc1
InChIInChI=1S/C15H16N2O3S/c1-11-7-8-12(16)9-14(11)21(19,20)10-15(18)17-13-5-3-2-4-6-13/h2-9H,10,16H2,1H3,(H,17,18)
InChIKeyFOPJQSTXVXOGHC-UHFFFAOYSA-N
XLogP1.99
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(5-amino-2-methylphenyl)sulfonyl-N-(3-methylbutyl)acetamide
CID 81191373
2-(5-amino-2-methylphenyl)sulfonyl-N-butan-2-ylacetamide
CID 81191298
N-(4-aminophenyl)-2-(benzenesulfonyl)acetamide
CID 43444150
2-(2,4-dimethylphenyl)sulfonyl-N-(3-methylphenyl)acetamide
CID 86992898
N-(4-aminophenyl)-2-methylsulfonylacetamide
CID 61025052
4-methyl-3-propylsulfonylaniline
CID 62589386
4-methyl-3-[(2,4,6-trimethylphenyl)methylsulfonyl]aniline
CID 81192384
2-(3,5-dimethylanilino)-N-phenylacetamide
CID 7636819
2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfonyl-N-phenylacetamide
CID 2157629
2-(2-methylsulfonylethylamino)-N-phenylacetamide
CID 54935124
2-[(5-chloro-2-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide
CID 46418498
2-(4-methoxyphenyl)sulfonyl-N-phenylacetamide
CID 15451751

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-methylphenyl)sulfonyl-N-phenylacetamide?
The IUPAC name of 2-(5-amino-2-methylphenyl)sulfonyl-N-phenylacetamide (CID 81193245) is 2-(5-amino-2-methylphenyl)sulfonyl-N-phenylacetamide.
What is the SMILES notation for 2-(5-amino-2-methylphenyl)sulfonyl-N-phenylacetamide?
The canonical SMILES for 2-(5-amino-2-methylphenyl)sulfonyl-N-phenylacetamide is Cc1ccc(N)cc1S(=O)(=O)CC(=O)Nc1ccccc1.
What is the InChIKey of 2-(5-amino-2-methylphenyl)sulfonyl-N-phenylacetamide?
The InChIKey is FOPJQSTXVXOGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-11-7-8-12(16)9-14(11)21(19,20)10-15(18)17-13-5-3-2-4-6-13/h2-9H,10,16H2,1H3,(H,17,18).
What are the key properties of 2-(5-amino-2-methylphenyl)sulfonyl-N-phenylacetamide?
2-(5-amino-2-methylphenyl)sulfonyl-N-phenylacetamide has a molecular weight of 304.37 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-methylphenyl)sulfonyl-N-phenylacetamide is sourced from PubChem (CID 81193245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).