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

C12H14BrFN2O4S — CID 65389059

IUPAC4-bromo-3-fluoro-N-(oxan-3-yl)-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(C(=O)NC2CCCOC2)cc(F)c1Br
InChIInChI=1S/C12H14BrFN2O4S/c13-11-9(14)4-7(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)
InChIKeyGLVXNIDIJZUWGT-UHFFFAOYSA-N
MW381.22 g/mol
LogP1.14
Rot. Bonds3

About 4-bromo-3-fluoro-N-(oxan-3-yl)-5-sulfamoylbenzamide

4-bromo-3-fluoro-N-(oxan-3-yl)-5-sulfamoylbenzamide (PubChem CID 65389059) has the molecular formula C12H14BrFN2O4S and a molecular weight of 381.22 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-(oxan-3-yl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-(oxan-3-yl)-5-sulfamoylbenzamide
PubChem CID65389059
Molecular FormulaC12H14BrFN2O4S
Molecular Weight381.22 g/mol
Exact Mass379.98
IUPAC Name4-bromo-3-fluoro-N-(oxan-3-yl)-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(C(=O)NC2CCCOC2)cc(F)c1Br
InChIInChI=1S/C12H14BrFN2O4S/c13-11-9(14)4-7(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)
InChIKeyGLVXNIDIJZUWGT-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-(oxolan-3-yl)-5-sulfamoylbenzamide
CID 80716129
4-fluoro-N-(oxan-3-yl)-3-sulfamoylbenzamide
CID 63613936
2-bromo-5-fluoro-N-(oxan-3-yl)-3-sulfamoylbenzamide
CID 63931877
4-chloro-N-(oxan-3-yl)-3-sulfamoylbenzamide
CID 63599170
3,5-difluoro-N-(oxan-3-yl)-4-(propylamino)benzamide
CID 63362445
5-bromo-2-chloro-N-(oxan-3-yl)-3-sulfamoylbenzamide
CID 65388673
3,5-dihydroxy-N-(oxan-3-yl)benzamide
CID 103941335
4-bromo-N-cyclohexyl-3,5-difluorobenzamide
CID 172646662
4-bromo-N-(cyclopropylmethyl)-3-fluoro-5-sulfamoylbenzamide
CID 65373308
4-chloro-N-(oxolan-3-yl)-3-sulfamoylbenzamide
CID 80715003
4-bromo-3-chloro-N-(oxan-3-yl)benzamide
CID 81004514
2-bromo-6-fluoro-N-[(3S)-oxan-3-yl]benzamide
CID 97221363

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-(oxan-3-yl)-5-sulfamoylbenzamide?
The IUPAC name of 4-bromo-3-fluoro-N-(oxan-3-yl)-5-sulfamoylbenzamide (CID 65389059) is 4-bromo-3-fluoro-N-(oxan-3-yl)-5-sulfamoylbenzamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-(oxan-3-yl)-5-sulfamoylbenzamide?
The canonical SMILES for 4-bromo-3-fluoro-N-(oxan-3-yl)-5-sulfamoylbenzamide is NS(=O)(=O)c1cc(C(=O)NC2CCCOC2)cc(F)c1Br.
What is the InChIKey of 4-bromo-3-fluoro-N-(oxan-3-yl)-5-sulfamoylbenzamide?
The InChIKey is GLVXNIDIJZUWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFN2O4S/c13-11-9(14)4-7(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 4-bromo-3-fluoro-N-(oxan-3-yl)-5-sulfamoylbenzamide?
4-bromo-3-fluoro-N-(oxan-3-yl)-5-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 4-bromo-3-fluoro-N-(oxan-3-yl)-5-sulfamoylbenzamide is sourced from PubChem (CID 65389059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).