2-bromo-5-fluoro-N-(oxolan-3-ylmethyl)-3-sulfamoylbenzamide

C12H14BrFN2O4S — CID 63932911

IUPAC2-bromo-5-fluoro-N-(oxolan-3-ylmethyl)-3-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(F)cc(C(=O)NCC2CCOC2)c1Br
InChIInChI=1S/C12H14BrFN2O4S/c13-11-9(3-8(14)4-10(11)21(15,18)19)12(17)16-5-7-1-2-20-6-7/h3-4,7H,1-2,5-6H2,(H,16,17)(H2,15,18,19)
InChIKeyZGUGPVHEELICNK-UHFFFAOYSA-N
MW381.22 g/mol
LogP1.00
Rot. Bonds4

About 2-bromo-5-fluoro-N-(oxolan-3-ylmethyl)-3-sulfamoylbenzamide

2-bromo-5-fluoro-N-(oxolan-3-ylmethyl)-3-sulfamoylbenzamide (PubChem CID 63932911) has the molecular formula C12H14BrFN2O4S and a molecular weight of 381.22 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-(oxolan-3-ylmethyl)-3-sulfamoylbenzamide.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-(oxolan-3-ylmethyl)-3-sulfamoylbenzamide
PubChem CID63932911
Molecular FormulaC12H14BrFN2O4S
Molecular Weight381.22 g/mol
Exact Mass379.98
IUPAC Name2-bromo-5-fluoro-N-(oxolan-3-ylmethyl)-3-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(F)cc(C(=O)NCC2CCOC2)c1Br
InChIInChI=1S/C12H14BrFN2O4S/c13-11-9(3-8(14)4-10(11)21(15,18)19)12(17)16-5-7-1-2-20-6-7/h3-4,7H,1-2,5-6H2,(H,16,17)(H2,15,18,19)
InChIKeyZGUGPVHEELICNK-UHFFFAOYSA-N
XLogP1.00
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.22
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-fluoro-N-(oxolan-3-ylmethyl)-5-sulfamoylbenzamide
CID 65387506
3-amino-2,5-difluoro-N-(oxolan-3-ylmethyl)benzamide
CID 107120671
2-bromo-5-fluoro-N-(oxan-3-yl)-3-sulfamoylbenzamide
CID 63931877
2-bromo-3-(cyclobutylmethylcarbamoyl)-5-fluorobenzenesulfonyl chloride
CID 65370737
4-chloro-N-(oxolan-3-ylmethyl)-3-sulfamoylbenzamide
CID 65388082
2-chloro-4-fluoro-5-(oxolan-3-ylmethylcarbamoyl)benzenesulfonyl chloride
CID 65397219
5-chloro-2-fluoro-3-(oxolan-3-ylmethylcarbamoyl)benzenesulfonyl chloride
CID 65396644
2,4-dimethyl-5-(oxolan-3-ylmethylcarbamoyl)benzenesulfonyl chloride
CID 65398563
4-fluoro-N-(oxan-3-ylmethyl)-3-sulfamoylbenzamide
CID 61217199
2-bromo-N-(cyclopropylmethyl)-4-fluoro-5-sulfamoylbenzamide
CID 65373693
4-bromo-N-(cyclopropylmethyl)-3-fluoro-5-sulfamoylbenzamide
CID 65373308
2-bromo-N-(1-cyclopropylethyl)-5-fluoro-3-sulfamoylbenzamide
CID 63933111

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-(oxolan-3-ylmethyl)-3-sulfamoylbenzamide?
The IUPAC name of 2-bromo-5-fluoro-N-(oxolan-3-ylmethyl)-3-sulfamoylbenzamide (CID 63932911) is 2-bromo-5-fluoro-N-(oxolan-3-ylmethyl)-3-sulfamoylbenzamide.
What is the SMILES notation for 2-bromo-5-fluoro-N-(oxolan-3-ylmethyl)-3-sulfamoylbenzamide?
The canonical SMILES for 2-bromo-5-fluoro-N-(oxolan-3-ylmethyl)-3-sulfamoylbenzamide is NS(=O)(=O)c1cc(F)cc(C(=O)NCC2CCOC2)c1Br.
What is the InChIKey of 2-bromo-5-fluoro-N-(oxolan-3-ylmethyl)-3-sulfamoylbenzamide?
The InChIKey is ZGUGPVHEELICNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFN2O4S/c13-11-9(3-8(14)4-10(11)21(15,18)19)12(17)16-5-7-1-2-20-6-7/h3-4,7H,1-2,5-6H2,(H,16,17)(H2,15,18,19).
What are the key properties of 2-bromo-5-fluoro-N-(oxolan-3-ylmethyl)-3-sulfamoylbenzamide?
2-bromo-5-fluoro-N-(oxolan-3-ylmethyl)-3-sulfamoylbenzamide has a molecular weight of 381.22 g/mol, XLogP of 1.00, 4 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-(oxolan-3-ylmethyl)-3-sulfamoylbenzamide is sourced from PubChem (CID 63932911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).