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

C12H15BrN2O4S — CID 61244884

IUPAC4-bromo-N-(oxan-4-yl)-3-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(C(=O)NC2CCOCC2)ccc1Br
InChIInChI=1S/C12H15BrN2O4S/c13-10-2-1-8(7-11(10)20(14,17)18)12(16)15-9-3-5-19-6-4-9/h1-2,7,9H,3-6H2,(H,15,16)(H2,14,17,18)
InChIKeyMNVSWZKJWWHACZ-UHFFFAOYSA-N
MW363.23 g/mol
LogP1.01
Rot. Bonds3

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

4-bromo-N-(oxan-4-yl)-3-sulfamoylbenzamide (PubChem CID 61244884) has the molecular formula C12H15BrN2O4S and a molecular weight of 363.23 g/mol. Its IUPAC name is 4-bromo-N-(oxan-4-yl)-3-sulfamoylbenzamide.

Molecular Properties

Compound Name4-bromo-N-(oxan-4-yl)-3-sulfamoylbenzamide
PubChem CID61244884
Molecular FormulaC12H15BrN2O4S
Molecular Weight363.23 g/mol
Exact Mass361.99
IUPAC Name4-bromo-N-(oxan-4-yl)-3-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(C(=O)NC2CCOCC2)ccc1Br
InChIInChI=1S/C12H15BrN2O4S/c13-10-2-1-8(7-11(10)20(14,17)18)12(16)15-9-3-5-19-6-4-9/h1-2,7,9H,3-6H2,(H,15,16)(H2,14,17,18)
InChIKeyMNVSWZKJWWHACZ-UHFFFAOYSA-N
XLogP1.01
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.23
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-(oxan-4-yl)-3-sulfamoylbenzamide
CID 65386263
4-chloro-N-(oxolan-3-yl)-3-sulfamoylbenzamide
CID 80715003
4-ethyl-N-(oxolan-3-yl)-3-sulfamoylbenzamide
CID 80715253
4-bromo-3-fluoro-N-(oxolan-3-yl)-5-sulfamoylbenzamide
CID 80716129
4-bromo-3-(oxolan-3-ylsulfamoyl)benzoic acid
CID 80716502
4-chloro-N-(oxan-3-yl)-3-sulfamoylbenzamide
CID 63599170
4-fluoro-N-(oxan-3-yl)-3-sulfamoylbenzamide
CID 63613936
N-(oxolan-3-yl)-3-sulfamoylbenzamide
CID 80712621
4-bromo-N-(2-propylcyclopropyl)-3-sulfamoylbenzamide
CID 103713871
3-(oxan-4-ylcarbamoyl)benzoic acid
CID 43610555
N-cyclohexyl-4-methoxy-3-sulfamoylbenzamide
CID 60635033
3-bromo-4-(oxan-4-ylsulfamoyl)benzoic acid
CID 43610009

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(oxan-4-yl)-3-sulfamoylbenzamide?
The IUPAC name of 4-bromo-N-(oxan-4-yl)-3-sulfamoylbenzamide (CID 61244884) is 4-bromo-N-(oxan-4-yl)-3-sulfamoylbenzamide.
What is the SMILES notation for 4-bromo-N-(oxan-4-yl)-3-sulfamoylbenzamide?
The canonical SMILES for 4-bromo-N-(oxan-4-yl)-3-sulfamoylbenzamide is NS(=O)(=O)c1cc(C(=O)NC2CCOCC2)ccc1Br.
What is the InChIKey of 4-bromo-N-(oxan-4-yl)-3-sulfamoylbenzamide?
The InChIKey is MNVSWZKJWWHACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O4S/c13-10-2-1-8(7-11(10)20(14,17)18)12(16)15-9-3-5-19-6-4-9/h1-2,7,9H,3-6H2,(H,15,16)(H2,14,17,18).
What are the key properties of 4-bromo-N-(oxan-4-yl)-3-sulfamoylbenzamide?
4-bromo-N-(oxan-4-yl)-3-sulfamoylbenzamide has a molecular weight of 363.23 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(oxan-4-yl)-3-sulfamoylbenzamide is sourced from PubChem (CID 61244884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).