5-bromo-2-chloro-N-(oxan-3-yl)-3-sulfamoylbenzamide

C12H14BrClN2O4S — CID 65388673

IUPAC5-bromo-2-chloro-N-(oxan-3-yl)-3-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(Br)cc(C(=O)NC2CCCOC2)c1Cl
InChIInChI=1S/C12H14BrClN2O4S/c13-7-4-9(11(14)10(5-7)21(15,18)19)12(17)16-8-2-1-3-20-6-8/h4-5,8H,1-3,6H2,(H,16,17)(H2,15,18,19)
InChIKeyDAOYTQKAWGSPEA-UHFFFAOYSA-N
MW397.68 g/mol
LogP1.66
Rot. Bonds3

About 5-bromo-2-chloro-N-(oxan-3-yl)-3-sulfamoylbenzamide

5-bromo-2-chloro-N-(oxan-3-yl)-3-sulfamoylbenzamide (PubChem CID 65388673) has the molecular formula C12H14BrClN2O4S and a molecular weight of 397.68 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(oxan-3-yl)-3-sulfamoylbenzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(oxan-3-yl)-3-sulfamoylbenzamide
PubChem CID65388673
Molecular FormulaC12H14BrClN2O4S
Molecular Weight397.68 g/mol
Exact Mass395.95
IUPAC Name5-bromo-2-chloro-N-(oxan-3-yl)-3-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(Br)cc(C(=O)NC2CCCOC2)c1Cl
InChIInChI=1S/C12H14BrClN2O4S/c13-7-4-9(11(14)10(5-7)21(15,18)19)12(17)16-8-2-1-3-20-6-8/h4-5,8H,1-3,6H2,(H,16,17)(H2,15,18,19)
InChIKeyDAOYTQKAWGSPEA-UHFFFAOYSA-N
XLogP1.66
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.68
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-fluoro-N-(oxan-3-yl)-3-sulfamoylbenzamide
CID 63931877
3-chloro-2-methyl-N-(oxan-3-yl)-5-sulfamoylbenzamide
CID 107100983
4-chloro-N-(oxan-3-yl)-3-sulfamoylbenzamide
CID 63599170
4-bromo-3-fluoro-N-(oxan-3-yl)-5-sulfamoylbenzamide
CID 65389059
4-fluoro-N-(oxan-3-yl)-3-sulfamoylbenzamide
CID 63613936
4-bromo-3-chloro-N-(oxan-3-yl)benzamide
CID 81004514
4-chloro-N-(oxolan-3-yl)-3-sulfamoylbenzamide
CID 80715003
2,4-dihydroxy-N-(oxan-3-yl)benzamide
CID 113232786
2-chloro-N-(oxan-3-yl)furan-3-carboxamide
CID 130173637
4-bromo-2-chloro-N-(oxan-3-yl)benzenesulfonamide
CID 63362034
3-amino-5-bromo-2-methyl-N-(oxolan-3-yl)benzamide
CID 107872966
4-bromo-3-fluoro-N-(oxolan-3-yl)-5-sulfamoylbenzamide
CID 80716129

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(oxan-3-yl)-3-sulfamoylbenzamide?
The IUPAC name of 5-bromo-2-chloro-N-(oxan-3-yl)-3-sulfamoylbenzamide (CID 65388673) is 5-bromo-2-chloro-N-(oxan-3-yl)-3-sulfamoylbenzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(oxan-3-yl)-3-sulfamoylbenzamide?
The canonical SMILES for 5-bromo-2-chloro-N-(oxan-3-yl)-3-sulfamoylbenzamide is NS(=O)(=O)c1cc(Br)cc(C(=O)NC2CCCOC2)c1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(oxan-3-yl)-3-sulfamoylbenzamide?
The InChIKey is DAOYTQKAWGSPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN2O4S/c13-7-4-9(11(14)10(5-7)21(15,18)19)12(17)16-8-2-1-3-20-6-8/h4-5,8H,1-3,6H2,(H,16,17)(H2,15,18,19).
What are the key properties of 5-bromo-2-chloro-N-(oxan-3-yl)-3-sulfamoylbenzamide?
5-bromo-2-chloro-N-(oxan-3-yl)-3-sulfamoylbenzamide has a molecular weight of 397.68 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(oxan-3-yl)-3-sulfamoylbenzamide is sourced from PubChem (CID 65388673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).