3-[[2-(hydroxymethyl)cyclopropyl]sulfamoyl]-N,N-dimethylbenzamide

C13H18N2O4S — CID 86818841

IUPAC3-[[2-(hydroxymethyl)cyclopropyl]sulfamoyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(S(=O)(=O)NC2CC2CO)c1
InChIInChI=1S/C13H18N2O4S/c1-15(2)13(17)9-4-3-5-11(6-9)20(18,19)14-12-7-10(12)8-16/h3-6,10,12,14,16H,7-8H2,1-2H3
InChIKeyKSIWGRCZLCGKQE-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.05
Rot. Bonds5

About 3-[[2-(hydroxymethyl)cyclopropyl]sulfamoyl]-N,N-dimethylbenzamide

3-[[2-(hydroxymethyl)cyclopropyl]sulfamoyl]-N,N-dimethylbenzamide (PubChem CID 86818841) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 3-[[2-(hydroxymethyl)cyclopropyl]sulfamoyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[2-(hydroxymethyl)cyclopropyl]sulfamoyl]-N,N-dimethylbenzamide
PubChem CID86818841
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name3-[[2-(hydroxymethyl)cyclopropyl]sulfamoyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(S(=O)(=O)NC2CC2CO)c1
InChIInChI=1S/C13H18N2O4S/c1-15(2)13(17)9-4-3-5-11(6-9)20(18,19)14-12-7-10(12)8-16/h3-6,10,12,14,16H,7-8H2,1-2H3
InChIKeyKSIWGRCZLCGKQE-UHFFFAOYSA-N
XLogP0.05
TPSA86.71 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 ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[2-(hydroxymethyl)cyclopropyl]sulfamoyl]-N,N-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(hydroxymethyl)cyclopropyl]sulfamoyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[2-(hydroxymethyl)cyclopropyl]sulfamoyl]-N,N-dimethylbenzamide (CID 86818841) is 3-[[2-(hydroxymethyl)cyclopropyl]sulfamoyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[2-(hydroxymethyl)cyclopropyl]sulfamoyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[2-(hydroxymethyl)cyclopropyl]sulfamoyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(S(=O)(=O)NC2CC2CO)c1.
What is the InChIKey of 3-[[2-(hydroxymethyl)cyclopropyl]sulfamoyl]-N,N-dimethylbenzamide?
The InChIKey is KSIWGRCZLCGKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-15(2)13(17)9-4-3-5-11(6-9)20(18,19)14-12-7-10(12)8-16/h3-6,10,12,14,16H,7-8H2,1-2H3.
What are the key properties of 3-[[2-(hydroxymethyl)cyclopropyl]sulfamoyl]-N,N-dimethylbenzamide?
3-[[2-(hydroxymethyl)cyclopropyl]sulfamoyl]-N,N-dimethylbenzamide has a molecular weight of 298.36 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(hydroxymethyl)cyclopropyl]sulfamoyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 86818841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).