2-[(5-amino-2-methylphenyl)sulfinylmethyl]benzamide

C15H16N2O2S — CID 81190861

IUPAC2-[(5-amino-2-methylphenyl)sulfinylmethyl]benzamide
SMILESCc1ccc(N)cc1S(=O)Cc1ccccc1C(N)=O
InChIInChI=1S/C15H16N2O2S/c1-10-6-7-12(16)8-14(10)20(19)9-11-4-2-3-5-13(11)15(17)18/h2-8H,9,16H2,1H3,(H2,17,18)
InChIKeyRDMHDGWWJHURDF-UHFFFAOYSA-N
MW288.37 g/mol
LogP1.98
Rot. Bonds4

About 2-[(5-amino-2-methylphenyl)sulfinylmethyl]benzamide

2-[(5-amino-2-methylphenyl)sulfinylmethyl]benzamide (PubChem CID 81190861) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-[(5-amino-2-methylphenyl)sulfinylmethyl]benzamide.

Molecular Properties

Compound Name2-[(5-amino-2-methylphenyl)sulfinylmethyl]benzamide
PubChem CID81190861
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name2-[(5-amino-2-methylphenyl)sulfinylmethyl]benzamide
SMILESCc1ccc(N)cc1S(=O)Cc1ccccc1C(N)=O
InChIInChI=1S/C15H16N2O2S/c1-10-6-7-12(16)8-14(10)20(19)9-11-4-2-3-5-13(11)15(17)18/h2-8H,9,16H2,1H3,(H2,17,18)
InChIKeyRDMHDGWWJHURDF-UHFFFAOYSA-N
XLogP1.98
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 51.98
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-[(3-amino-2-methylphenyl)sulfinylmethyl]benzamide
CID 81191234
3-[(2,5-dimethylphenyl)methylsulfinyl]-4-methylaniline
CID 81190175
2-[(5-amino-2-methylphenyl)sulfanylmethyl]benzamide
CID 79141355
(2-carbamoylphenyl)methyl 5-amino-2-methylbenzoate
CID 61322116
2-[(2-amino-5-chlorophenyl)sulfinylmethyl]benzamide
CID 81180680
4-methyl-3-[(4-methylphenyl)methylsulfinyl]aniline
CID 81191356
3-[(2-chloro-4-fluorophenyl)methylsulfinyl]-4-methylaniline
CID 81184033
3-[(2-bromo-4-fluorophenyl)methylsulfinyl]-4-methylaniline
CID 81191015
2-(5-amino-2-methylphenyl)sulfinyl-N-(2-methylphenyl)acetamide
CID 81191402
1-(5-amino-2-methylphenyl)sulfinylpropan-2-ol
CID 107889569
3-[(2-fluoro-4-methoxyphenyl)methylsulfinyl]-4-methylaniline
CID 102879973
2-(5-amino-2-methylphenyl)sulfinylacetonitrile
CID 81190853

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2-methylphenyl)sulfinylmethyl]benzamide?
The IUPAC name of 2-[(5-amino-2-methylphenyl)sulfinylmethyl]benzamide (CID 81190861) is 2-[(5-amino-2-methylphenyl)sulfinylmethyl]benzamide.
What is the SMILES notation for 2-[(5-amino-2-methylphenyl)sulfinylmethyl]benzamide?
The canonical SMILES for 2-[(5-amino-2-methylphenyl)sulfinylmethyl]benzamide is Cc1ccc(N)cc1S(=O)Cc1ccccc1C(N)=O.
What is the InChIKey of 2-[(5-amino-2-methylphenyl)sulfinylmethyl]benzamide?
The InChIKey is RDMHDGWWJHURDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-10-6-7-12(16)8-14(10)20(19)9-11-4-2-3-5-13(11)15(17)18/h2-8H,9,16H2,1H3,(H2,17,18).
What are the key properties of 2-[(5-amino-2-methylphenyl)sulfinylmethyl]benzamide?
2-[(5-amino-2-methylphenyl)sulfinylmethyl]benzamide has a molecular weight of 288.37 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2-methylphenyl)sulfinylmethyl]benzamide is sourced from PubChem (CID 81190861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).