3-(methylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide

C13H18N2O4S — CID 51160994

IUPAC3-(methylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide
SMILESCNS(=O)(=O)c1cccc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C13H18N2O4S/c1-14-20(17,18)12-6-2-4-10(8-12)13(16)15-9-11-5-3-7-19-11/h2,4,6,8,11,14H,3,5,7,9H2,1H3,(H,15,16)
InChIKeyGNDVZVHTKRBCIT-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.50
Rot. Bonds5

About 3-(methylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide

3-(methylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 51160994) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 3-(methylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(methylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide
PubChem CID51160994
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name3-(methylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide
SMILESCNS(=O)(=O)c1cccc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C13H18N2O4S/c1-14-20(17,18)12-6-2-4-10(8-12)13(16)15-9-11-5-3-7-19-11/h2,4,6,8,11,14H,3,5,7,9H2,1H3,(H,15,16)
InChIKeyGNDVZVHTKRBCIT-UHFFFAOYSA-N
XLogP0.50
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(methylsulfamoyl)benzoyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 133231300
N-(oxolan-2-ylmethyl)-3-(phenylsulfamoyl)benzamide
CID 19257393
3-(butylsulfamoyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 27518057
3-[(3-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 43002756
N-(oxolan-2-ylmethyl)-3-(1-phenylethylsulfamoyl)benzamide
CID 109063927
3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 109063959
N-(oxolan-2-ylmethyl)-3-(pentylsulfamoyl)benzamide
CID 109063938
3-[(4-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 109063950
3-[(2-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 18108761
3-(benzenesulfonamido)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 25331189
3-(4-methylpiperidin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 2953675
3-(cyclohexen-1-ylmethylsulfamoyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 97208205

Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 3-(methylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide (CID 51160994) is 3-(methylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-(methylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 3-(methylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide is CNS(=O)(=O)c1cccc(C(=O)NCC2CCCO2)c1.
What is the InChIKey of 3-(methylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is GNDVZVHTKRBCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-14-20(17,18)12-6-2-4-10(8-12)13(16)15-9-11-5-3-7-19-11/h2,4,6,8,11,14H,3,5,7,9H2,1H3,(H,15,16).
What are the key properties of 3-(methylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide?
3-(methylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 298.36 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 51160994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).