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

C12H15ClN2O4S — CID 63599170

IUPAC4-chloro-N-(oxan-3-yl)-3-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(C(=O)NC2CCCOC2)ccc1Cl
InChIInChI=1S/C12H15ClN2O4S/c13-10-4-3-8(6-11(10)20(14,17)18)12(16)15-9-2-1-5-19-7-9/h3-4,6,9H,1-2,5,7H2,(H,15,16)(H2,14,17,18)
InChIKeyFOQAJBDUIHKKPY-UHFFFAOYSA-N
MW318.78 g/mol
LogP0.90
Rot. Bonds3

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

4-chloro-N-(oxan-3-yl)-3-sulfamoylbenzamide (PubChem CID 63599170) has the molecular formula C12H15ClN2O4S and a molecular weight of 318.78 g/mol. Its IUPAC name is 4-chloro-N-(oxan-3-yl)-3-sulfamoylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(oxan-3-yl)-3-sulfamoylbenzamide
PubChem CID63599170
Molecular FormulaC12H15ClN2O4S
Molecular Weight318.78 g/mol
Exact Mass318.04
IUPAC Name4-chloro-N-(oxan-3-yl)-3-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(C(=O)NC2CCCOC2)ccc1Cl
InChIInChI=1S/C12H15ClN2O4S/c13-10-4-3-8(6-11(10)20(14,17)18)12(16)15-9-2-1-5-19-7-9/h3-4,6,9H,1-2,5,7H2,(H,15,16)(H2,14,17,18)
InChIKeyFOQAJBDUIHKKPY-UHFFFAOYSA-N
XLogP0.90
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.78
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(oxolan-3-yl)-3-sulfamoylbenzamide
CID 80715003
4-fluoro-N-(oxan-3-yl)-3-sulfamoylbenzamide
CID 63613936
4-bromo-3-chloro-N-(oxan-3-yl)benzamide
CID 81004514
4-bromo-3-fluoro-N-(oxan-3-yl)-5-sulfamoylbenzamide
CID 65389059
4-ethyl-N-(oxolan-3-yl)-3-sulfamoylbenzamide
CID 80715253
4-chloro-N-(oxolan-3-ylmethyl)-3-sulfamoylbenzamide
CID 65388082
5-bromo-2-chloro-N-(oxan-3-yl)-3-sulfamoylbenzamide
CID 65388673
4-chloro-N-cyclohexyl-3-methylsulfonylbenzamide
CID 17456227
3-chloro-2-methyl-N-(oxan-3-yl)-5-sulfamoylbenzamide
CID 107100983
2-amino-6-chloro-N-(oxan-3-yl)pyridine-4-carboxamide
CID 55190561
3,4-dichloro-N-cyclopentyl-5-sulfamoylbenzamide
CID 65375967
N-(1-benzylpyrrolidin-3-yl)-4-chloro-3-sulfamoylbenzamide
CID 3464249

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(oxan-3-yl)-3-sulfamoylbenzamide?
The IUPAC name of 4-chloro-N-(oxan-3-yl)-3-sulfamoylbenzamide (CID 63599170) is 4-chloro-N-(oxan-3-yl)-3-sulfamoylbenzamide.
What is the SMILES notation for 4-chloro-N-(oxan-3-yl)-3-sulfamoylbenzamide?
The canonical SMILES for 4-chloro-N-(oxan-3-yl)-3-sulfamoylbenzamide is NS(=O)(=O)c1cc(C(=O)NC2CCCOC2)ccc1Cl.
What is the InChIKey of 4-chloro-N-(oxan-3-yl)-3-sulfamoylbenzamide?
The InChIKey is FOQAJBDUIHKKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O4S/c13-10-4-3-8(6-11(10)20(14,17)18)12(16)15-9-2-1-5-19-7-9/h3-4,6,9H,1-2,5,7H2,(H,15,16)(H2,14,17,18).
What are the key properties of 4-chloro-N-(oxan-3-yl)-3-sulfamoylbenzamide?
4-chloro-N-(oxan-3-yl)-3-sulfamoylbenzamide has a molecular weight of 318.78 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(oxan-3-yl)-3-sulfamoylbenzamide is sourced from PubChem (CID 63599170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).