2-[(3-amino-2-methylphenyl)sulfinylmethyl]benzamide

C15H16N2O2S — CID 81191234

IUPAC2-[(3-amino-2-methylphenyl)sulfinylmethyl]benzamide
SMILESCc1c(N)cccc1S(=O)Cc1ccccc1C(N)=O
InChIInChI=1S/C15H16N2O2S/c1-10-13(16)7-4-8-14(10)20(19)9-11-5-2-3-6-12(11)15(17)18/h2-8H,9,16H2,1H3,(H2,17,18)
InChIKeyDEGCNZJAPJWSJH-UHFFFAOYSA-N
MW288.37 g/mol
LogP1.98
Rot. Bonds4

About 2-[(3-amino-2-methylphenyl)sulfinylmethyl]benzamide

2-[(3-amino-2-methylphenyl)sulfinylmethyl]benzamide (PubChem CID 81191234) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-[(3-amino-2-methylphenyl)sulfinylmethyl]benzamide.

Molecular Properties

Compound Name2-[(3-amino-2-methylphenyl)sulfinylmethyl]benzamide
PubChem CID81191234
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name2-[(3-amino-2-methylphenyl)sulfinylmethyl]benzamide
SMILESCc1c(N)cccc1S(=O)Cc1ccccc1C(N)=O
InChIInChI=1S/C15H16N2O2S/c1-10-13(16)7-4-8-14(10)20(19)9-11-5-2-3-6-12(11)15(17)18/h2-8H,9,16H2,1H3,(H2,17,18)
InChIKeyDEGCNZJAPJWSJH-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-[(5-amino-2-methylphenyl)sulfinylmethyl]benzamide
CID 81190861
2-[(2-amino-5-chlorophenyl)sulfinylmethyl]benzamide
CID 81180680
4-[(3-amino-2-methylphenyl)sulfinylmethyl]phenol
CID 81191302
3-ethylsulfinyl-2-methylaniline
CID 81191050
2-bromo-3-[(2-methylphenyl)sulfinylmethyl]aniline
CID 114048903
3-[(5-bromo-2-methoxyphenyl)methylsulfinyl]-2-methylaniline
CID 81191222
3-[(2-bromo-5-methoxyphenyl)methylsulfinyl]-2-methylaniline
CID 81190635
3-[(3-chlorophenyl)methylsulfinyl]-2-methylaniline
CID 81190457
3-[(3,4-dichlorophenyl)methylsulfinyl]-2-methylaniline
CID 81190387
2-(3-amino-2-methylphenyl)sulfinylpropanamide
CID 81190538
2-(3-amino-2-methylphenyl)sulfinyl-N-tert-butylacetamide
CID 81190716
2-(3-amino-2-methylphenyl)sulfinyl-N-ethyl-N-methylacetamide
CID 81190292

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2-methylphenyl)sulfinylmethyl]benzamide?
The IUPAC name of 2-[(3-amino-2-methylphenyl)sulfinylmethyl]benzamide (CID 81191234) is 2-[(3-amino-2-methylphenyl)sulfinylmethyl]benzamide.
What is the SMILES notation for 2-[(3-amino-2-methylphenyl)sulfinylmethyl]benzamide?
The canonical SMILES for 2-[(3-amino-2-methylphenyl)sulfinylmethyl]benzamide is Cc1c(N)cccc1S(=O)Cc1ccccc1C(N)=O.
What is the InChIKey of 2-[(3-amino-2-methylphenyl)sulfinylmethyl]benzamide?
The InChIKey is DEGCNZJAPJWSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-10-13(16)7-4-8-14(10)20(19)9-11-5-2-3-6-12(11)15(17)18/h2-8H,9,16H2,1H3,(H2,17,18).
What are the key properties of 2-[(3-amino-2-methylphenyl)sulfinylmethyl]benzamide?
2-[(3-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-[(3-amino-2-methylphenyl)sulfinylmethyl]benzamide is sourced from PubChem (CID 81191234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).