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

C11H13ClN2O4S — CID 80715003

IUPAC4-chloro-N-(oxolan-3-yl)-3-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(C(=O)NC2CCOC2)ccc1Cl
InChIInChI=1S/C11H13ClN2O4S/c12-9-2-1-7(5-10(9)19(13,16)17)11(15)14-8-3-4-18-6-8/h1-2,5,8H,3-4,6H2,(H,14,15)(H2,13,16,17)
InChIKeyZLLSVWBGCBIXEE-UHFFFAOYSA-N
MW304.75 g/mol
LogP0.51
Rot. Bonds3

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

4-chloro-N-(oxolan-3-yl)-3-sulfamoylbenzamide (PubChem CID 80715003) has the molecular formula C11H13ClN2O4S and a molecular weight of 304.75 g/mol. Its IUPAC name is 4-chloro-N-(oxolan-3-yl)-3-sulfamoylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(oxolan-3-yl)-3-sulfamoylbenzamide
PubChem CID80715003
Molecular FormulaC11H13ClN2O4S
Molecular Weight304.75 g/mol
Exact Mass304.03
IUPAC Name4-chloro-N-(oxolan-3-yl)-3-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(C(=O)NC2CCOC2)ccc1Cl
InChIInChI=1S/C11H13ClN2O4S/c12-9-2-1-7(5-10(9)19(13,16)17)11(15)14-8-3-4-18-6-8/h1-2,5,8H,3-4,6H2,(H,14,15)(H2,13,16,17)
InChIKeyZLLSVWBGCBIXEE-UHFFFAOYSA-N
XLogP0.51
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.75
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(oxan-3-yl)-3-sulfamoylbenzamide
CID 63599170
4-ethyl-N-(oxolan-3-yl)-3-sulfamoylbenzamide
CID 80715253
4-chloro-N-(oxolan-3-ylmethyl)-3-sulfamoylbenzamide
CID 65388082
4-fluoro-N-(oxan-3-yl)-3-sulfamoylbenzamide
CID 63613936
4-bromo-N-(oxan-4-yl)-3-sulfamoylbenzamide
CID 61244884
N-(oxolan-3-yl)-3-sulfamoylbenzamide
CID 80712621
4-bromo-3-fluoro-N-(oxolan-3-yl)-5-sulfamoylbenzamide
CID 80716129
4-ethyl-N-(oxan-4-yl)-3-sulfamoylbenzamide
CID 65386263
N-(1-benzylpyrrolidin-3-yl)-4-chloro-3-sulfamoylbenzamide
CID 3464249
N-(oxolan-3-yl)-5-sulfamoylthiophene-3-carboxamide
CID 80715507
4-chloro-3-sulfamoyl-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79360203
4-bromo-3-chloro-N-(oxan-3-yl)benzamide
CID 81004514

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(oxolan-3-yl)-3-sulfamoylbenzamide?
The IUPAC name of 4-chloro-N-(oxolan-3-yl)-3-sulfamoylbenzamide (CID 80715003) is 4-chloro-N-(oxolan-3-yl)-3-sulfamoylbenzamide.
What is the SMILES notation for 4-chloro-N-(oxolan-3-yl)-3-sulfamoylbenzamide?
The canonical SMILES for 4-chloro-N-(oxolan-3-yl)-3-sulfamoylbenzamide is NS(=O)(=O)c1cc(C(=O)NC2CCOC2)ccc1Cl.
What is the InChIKey of 4-chloro-N-(oxolan-3-yl)-3-sulfamoylbenzamide?
The InChIKey is ZLLSVWBGCBIXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O4S/c12-9-2-1-7(5-10(9)19(13,16)17)11(15)14-8-3-4-18-6-8/h1-2,5,8H,3-4,6H2,(H,14,15)(H2,13,16,17).
What are the key properties of 4-chloro-N-(oxolan-3-yl)-3-sulfamoylbenzamide?
4-chloro-N-(oxolan-3-yl)-3-sulfamoylbenzamide has a molecular weight of 304.75 g/mol, XLogP of 0.51, 3 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-yl)-3-sulfamoylbenzamide is sourced from PubChem (CID 80715003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).