3-(methanesulfinamido)benzamide

C8H10N2O2S — CID 169217991

IUPAC3-(methanesulfinamido)benzamide
SMILESCS(=O)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C8H10N2O2S/c1-13(12)10-7-4-2-3-6(5-7)8(9)11/h2-5,10H,1H3,(H2,9,11)
InChIKeyCBMBBRZIEYKYBS-UHFFFAOYSA-N
MW198.25 g/mol
LogP0.49
Rot. Bonds3

About 3-(methanesulfinamido)benzamide

3-(methanesulfinamido)benzamide (PubChem CID 169217991) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is 3-(methanesulfinamido)benzamide.

Molecular Properties

Compound Name3-(methanesulfinamido)benzamide
PubChem CID169217991
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Name3-(methanesulfinamido)benzamide
SMILESCS(=O)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C8H10N2O2S/c1-13(12)10-7-4-2-3-6(5-7)8(9)11/h2-5,10H,1H3,(H2,9,11)
InChIKeyCBMBBRZIEYKYBS-UHFFFAOYSA-N
XLogP0.49
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(carbamoylsulfinylamino)benzamide
CID 141122058
3-(methylamino)benzamide
CID 18727714
ethane;3-(methylamino)benzamide
CID 142071023
3-hydrazinylbenzamide;hydrochloride
CID 90487444
3-(cyanoamino)benzamide
CID 19926828
3-(sulfamoylamino)benzamide
CID 57051238
3-(trifluoromethylamino)benzamide
CID 150882306
methyl 2-(3-carbamoylanilino)propanoate
CID 66174696
3-(2-aminopropanoylamino)benzamide
CID 61258270
3-[(2,6-dimethylcyclohexyl)amino]benzamide
CID 43202843
3-[(2-methylcyclohexyl)amino]benzamide
CID 43202841
3-[(N'-propan-2-ylcarbamimidoyl)amino]benzamide
CID 107811857

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfinamido)benzamide?
The IUPAC name of 3-(methanesulfinamido)benzamide (CID 169217991) is 3-(methanesulfinamido)benzamide.
What is the SMILES notation for 3-(methanesulfinamido)benzamide?
The canonical SMILES for 3-(methanesulfinamido)benzamide is CS(=O)Nc1cccc(C(N)=O)c1.
What is the InChIKey of 3-(methanesulfinamido)benzamide?
The InChIKey is CBMBBRZIEYKYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c1-13(12)10-7-4-2-3-6(5-7)8(9)11/h2-5,10H,1H3,(H2,9,11).
What are the key properties of 3-(methanesulfinamido)benzamide?
3-(methanesulfinamido)benzamide has a molecular weight of 198.25 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfinamido)benzamide is sourced from PubChem (CID 169217991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).