N-(2-hydroxyphenyl)-3-(methylsulfinylmethyl)benzamide

C15H15NO3S — CID 46678639

IUPACN-(2-hydroxyphenyl)-3-(methylsulfinylmethyl)benzamide
SMILESCS(=O)Cc1cccc(C(=O)Nc2ccccc2O)c1
InChIInChI=1S/C15H15NO3S/c1-20(19)10-11-5-4-6-12(9-11)15(18)16-13-7-2-3-8-14(13)17/h2-9,17H,10H2,1H3,(H,16,18)
InChIKeyBKPZJZSSWYCJKD-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.52
Rot. Bonds4

About N-(2-hydroxyphenyl)-3-(methylsulfinylmethyl)benzamide

N-(2-hydroxyphenyl)-3-(methylsulfinylmethyl)benzamide (PubChem CID 46678639) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-3-(methylsulfinylmethyl)benzamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-3-(methylsulfinylmethyl)benzamide
PubChem CID46678639
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC NameN-(2-hydroxyphenyl)-3-(methylsulfinylmethyl)benzamide
SMILESCS(=O)Cc1cccc(C(=O)Nc2ccccc2O)c1
InChIInChI=1S/C15H15NO3S/c1-20(19)10-11-5-4-6-12(9-11)15(18)16-13-7-2-3-8-14(13)17/h2-9,17H,10H2,1H3,(H,16,18)
InChIKeyBKPZJZSSWYCJKD-UHFFFAOYSA-N
XLogP2.52
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(methylsulfinylmethyl)-N-[2-(triazol-1-yl)phenyl]benzamide
CID 75517599
3-(methylsulfinylmethyl)-N-pyridin-2-ylbenzamide
CID 46511648
N-(4-acetylphenyl)-3-(methylsulfinylmethyl)benzamide
CID 134032815
N-[3-(methylcarbamoyl)phenyl]-3-(methylsulfinylmethyl)benzamide
CID 18146301
N-[3-(ethylaminomethyl)phenyl]-3-(methylsulfinylmethyl)benzamide
CID 119438044
N-[4-(3-methylbutanoylamino)phenyl]-3-(methylsulfinylmethyl)benzamide
CID 134001886
3-fluoro-N-(2-hydroxyphenyl)benzamide
CID 45029698
N-(2-hydroxy-2-phenylpropyl)-3-(methylsulfinylmethyl)benzamide
CID 111334878
3-(methylsulfinylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 46678082
N-(4-methyl-1,3-benzothiazol-2-yl)-3-(methylsulfinylmethyl)benzamide
CID 18138513
3-(methylsulfinylmethyl)-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 75526163
3-(diethylsulfamoyl)-N-(2-hydroxyphenyl)benzamide
CID 793744

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-3-(methylsulfinylmethyl)benzamide?
The IUPAC name of N-(2-hydroxyphenyl)-3-(methylsulfinylmethyl)benzamide (CID 46678639) is N-(2-hydroxyphenyl)-3-(methylsulfinylmethyl)benzamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-3-(methylsulfinylmethyl)benzamide?
The canonical SMILES for N-(2-hydroxyphenyl)-3-(methylsulfinylmethyl)benzamide is CS(=O)Cc1cccc(C(=O)Nc2ccccc2O)c1.
What is the InChIKey of N-(2-hydroxyphenyl)-3-(methylsulfinylmethyl)benzamide?
The InChIKey is BKPZJZSSWYCJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-20(19)10-11-5-4-6-12(9-11)15(18)16-13-7-2-3-8-14(13)17/h2-9,17H,10H2,1H3,(H,16,18).
What are the key properties of N-(2-hydroxyphenyl)-3-(methylsulfinylmethyl)benzamide?
N-(2-hydroxyphenyl)-3-(methylsulfinylmethyl)benzamide has a molecular weight of 289.36 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-3-(methylsulfinylmethyl)benzamide is sourced from PubChem (CID 46678639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).