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

C12H14BrFN2O4S — CID 63931877

IUPAC2-bromo-5-fluoro-N-(oxan-3-yl)-3-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(F)cc(C(=O)NC2CCCOC2)c1Br
InChIInChI=1S/C12H14BrFN2O4S/c13-11-9(4-7(14)5-10(11)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)
InChIKeyUFQYVWRAHLQSIZ-UHFFFAOYSA-N
MW381.22 g/mol
LogP1.14
Rot. Bonds3

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

2-bromo-5-fluoro-N-(oxan-3-yl)-3-sulfamoylbenzamide (PubChem CID 63931877) has the molecular formula C12H14BrFN2O4S and a molecular weight of 381.22 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-(oxan-3-yl)-3-sulfamoylbenzamide.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-(oxan-3-yl)-3-sulfamoylbenzamide
PubChem CID63931877
Molecular FormulaC12H14BrFN2O4S
Molecular Weight381.22 g/mol
Exact Mass379.98
IUPAC Name2-bromo-5-fluoro-N-(oxan-3-yl)-3-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(F)cc(C(=O)NC2CCCOC2)c1Br
InChIInChI=1S/C12H14BrFN2O4S/c13-11-9(4-7(14)5-10(11)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)
InChIKeyUFQYVWRAHLQSIZ-UHFFFAOYSA-N
XLogP1.14
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.22
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-3-fluoro-N-(oxan-3-yl)-5-sulfamoylbenzamide
CID 65389059
4-bromo-3-fluoro-N-(oxolan-3-yl)-5-sulfamoylbenzamide
CID 80716129
5-bromo-2-chloro-N-(oxan-3-yl)-3-sulfamoylbenzamide
CID 65388673
2-bromo-5-fluoro-N-(oxolan-3-ylmethyl)-3-sulfamoylbenzamide
CID 63932911
4-fluoro-N-(oxan-3-yl)-3-sulfamoylbenzamide
CID 63613936
2-bromo-3-(cyclopentylcarbamoyl)-5-fluorobenzenesulfonyl chloride
CID 65367953
2-bromo-N-(2,2-dimethylcyclopropyl)-5-fluoro-3-sulfamoylbenzamide
CID 63932506
N-cyclohexyl-5-fluoro-2-methyl-3-sulfamoylbenzamide
CID 65373979
4-chloro-N-(oxan-3-yl)-3-sulfamoylbenzamide
CID 63599170
2-bromo-N-(1-cyclopropylethyl)-5-fluoro-3-sulfamoylbenzamide
CID 63933111
3-amino-2,5-difluoro-N-(oxolan-3-yl)benzamide
CID 107121271
3-chloro-2-methyl-N-(oxan-3-yl)-5-sulfamoylbenzamide
CID 107100983

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-(oxan-3-yl)-3-sulfamoylbenzamide?
The IUPAC name of 2-bromo-5-fluoro-N-(oxan-3-yl)-3-sulfamoylbenzamide (CID 63931877) is 2-bromo-5-fluoro-N-(oxan-3-yl)-3-sulfamoylbenzamide.
What is the SMILES notation for 2-bromo-5-fluoro-N-(oxan-3-yl)-3-sulfamoylbenzamide?
The canonical SMILES for 2-bromo-5-fluoro-N-(oxan-3-yl)-3-sulfamoylbenzamide is NS(=O)(=O)c1cc(F)cc(C(=O)NC2CCCOC2)c1Br.
What is the InChIKey of 2-bromo-5-fluoro-N-(oxan-3-yl)-3-sulfamoylbenzamide?
The InChIKey is UFQYVWRAHLQSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFN2O4S/c13-11-9(4-7(14)5-10(11)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 2-bromo-5-fluoro-N-(oxan-3-yl)-3-sulfamoylbenzamide?
2-bromo-5-fluoro-N-(oxan-3-yl)-3-sulfamoylbenzamide has a molecular weight of 381.22 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-N-(oxan-3-yl)-3-sulfamoylbenzamide is sourced from PubChem (CID 63931877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).