4-chloro-N-(oxolan-3-ylmethyl)-3-sulfamoylbenzamide

C12H15ClN2O4S — CID 65388082

IUPAC4-chloro-N-(oxolan-3-ylmethyl)-3-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(C(=O)NCC2CCOC2)ccc1Cl
InChIInChI=1S/C12H15ClN2O4S/c13-10-2-1-9(5-11(10)20(14,17)18)12(16)15-6-8-3-4-19-7-8/h1-2,5,8H,3-4,6-7H2,(H,15,16)(H2,14,17,18)
InChIKeyHEDRJCJQKRKCRX-UHFFFAOYSA-N
MW318.78 g/mol
LogP0.75
Rot. Bonds4

About 4-chloro-N-(oxolan-3-ylmethyl)-3-sulfamoylbenzamide

4-chloro-N-(oxolan-3-ylmethyl)-3-sulfamoylbenzamide (PubChem CID 65388082) has the molecular formula C12H15ClN2O4S and a molecular weight of 318.78 g/mol. Its IUPAC name is 4-chloro-N-(oxolan-3-ylmethyl)-3-sulfamoylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(oxolan-3-ylmethyl)-3-sulfamoylbenzamide
PubChem CID65388082
Molecular FormulaC12H15ClN2O4S
Molecular Weight318.78 g/mol
Exact Mass318.04
IUPAC Name4-chloro-N-(oxolan-3-ylmethyl)-3-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(C(=O)NCC2CCOC2)ccc1Cl
InChIInChI=1S/C12H15ClN2O4S/c13-10-2-1-9(5-11(10)20(14,17)18)12(16)15-6-8-3-4-19-7-8/h1-2,5,8H,3-4,6-7H2,(H,15,16)(H2,14,17,18)
InChIKeyHEDRJCJQKRKCRX-UHFFFAOYSA-N
XLogP0.75
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.78
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-(oxolan-3-ylmethyl)-3-sulfamoylbenzamide with MolForge

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

Launch Full Analysis

Related Compounds

4-chloro-N-(oxolan-3-yl)-3-sulfamoylbenzamide
CID 80715003
4-fluoro-N-(oxan-3-ylmethyl)-3-sulfamoylbenzamide
CID 61217199
2-ethyl-5-(oxolan-3-ylmethylcarbamoyl)benzenesulfonyl chloride
CID 65396832
4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-(oxolan-3-ylmethyl)benzamide
CID 55659385
2-chloro-4-fluoro-N-(oxolan-3-ylmethyl)-5-sulfamoylbenzamide
CID 65387506
3,4-dichloro-N-(oxan-4-ylmethyl)benzamide
CID 110736364
4-chloro-N-(oxan-3-yl)-3-sulfamoylbenzamide
CID 63599170
4-bromo-3-chloro-N-(oxan-4-ylmethyl)benzamide
CID 80998003
5-bromo-2-chloro-N-(oxolan-3-ylmethyl)benzamide
CID 47179450
4-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-3-sulfamoylbenzamide
CID 103839298
4-amino-2-chloro-N-(oxolan-3-ylmethyl)benzamide
CID 61112400
3-[(2-aminoacetyl)sulfamoyl]-4-chloro-N-(cyclopropylmethyl)benzamide
CID 23501013

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(oxolan-3-ylmethyl)-3-sulfamoylbenzamide?
The IUPAC name of 4-chloro-N-(oxolan-3-ylmethyl)-3-sulfamoylbenzamide (CID 65388082) is 4-chloro-N-(oxolan-3-ylmethyl)-3-sulfamoylbenzamide.
What is the SMILES notation for 4-chloro-N-(oxolan-3-ylmethyl)-3-sulfamoylbenzamide?
The canonical SMILES for 4-chloro-N-(oxolan-3-ylmethyl)-3-sulfamoylbenzamide is NS(=O)(=O)c1cc(C(=O)NCC2CCOC2)ccc1Cl.
What is the InChIKey of 4-chloro-N-(oxolan-3-ylmethyl)-3-sulfamoylbenzamide?
The InChIKey is HEDRJCJQKRKCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O4S/c13-10-2-1-9(5-11(10)20(14,17)18)12(16)15-6-8-3-4-19-7-8/h1-2,5,8H,3-4,6-7H2,(H,15,16)(H2,14,17,18).
What are the key properties of 4-chloro-N-(oxolan-3-ylmethyl)-3-sulfamoylbenzamide?
4-chloro-N-(oxolan-3-ylmethyl)-3-sulfamoylbenzamide has a molecular weight of 318.78 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(oxolan-3-ylmethyl)-3-sulfamoylbenzamide is sourced from PubChem (CID 65388082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).