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

C11H12BrFN2O4S — CID 80716129

IUPAC4-bromo-3-fluoro-N-(oxolan-3-yl)-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(C(=O)NC2CCOC2)cc(F)c1Br
InChIInChI=1S/C11H12BrFN2O4S/c12-10-8(13)3-6(4-9(10)20(14,17)18)11(16)15-7-1-2-19-5-7/h3-4,7H,1-2,5H2,(H,15,16)(H2,14,17,18)
InChIKeyVHCPFTORGWCTJT-UHFFFAOYSA-N
MW367.20 g/mol
LogP0.75
Rot. Bonds3

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

4-bromo-3-fluoro-N-(oxolan-3-yl)-5-sulfamoylbenzamide (PubChem CID 80716129) has the molecular formula C11H12BrFN2O4S and a molecular weight of 367.20 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-(oxolan-3-yl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-(oxolan-3-yl)-5-sulfamoylbenzamide
PubChem CID80716129
Molecular FormulaC11H12BrFN2O4S
Molecular Weight367.20 g/mol
Exact Mass365.97
IUPAC Name4-bromo-3-fluoro-N-(oxolan-3-yl)-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(C(=O)NC2CCOC2)cc(F)c1Br
InChIInChI=1S/C11H12BrFN2O4S/c12-10-8(13)3-6(4-9(10)20(14,17)18)11(16)15-7-1-2-19-5-7/h3-4,7H,1-2,5H2,(H,15,16)(H2,14,17,18)
InChIKeyVHCPFTORGWCTJT-UHFFFAOYSA-N
XLogP0.75
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.20
LogP ≤ 50.75
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
2-bromo-5-fluoro-N-(oxan-3-yl)-3-sulfamoylbenzamide
CID 63931877
4-fluoro-N-(oxan-3-yl)-3-sulfamoylbenzamide
CID 63613936
4-chloro-N-(oxolan-3-yl)-3-sulfamoylbenzamide
CID 80715003
4-ethyl-N-(oxolan-3-yl)-3-sulfamoylbenzamide
CID 80715253
4-bromo-N-(oxan-4-yl)-3-sulfamoylbenzamide
CID 61244884
3-fluoro-2-methoxy-5-(oxolan-3-ylcarbamoyl)benzenesulfonyl chloride
CID 80716247
N-(oxolan-3-yl)-5-sulfamoylthiophene-3-carboxamide
CID 80715507
4-bromo-N-(cyclopropylmethyl)-3-fluoro-5-sulfamoylbenzamide
CID 65373308
N-(oxolan-3-yl)-3-sulfamoylbenzamide
CID 80712621
2,3-dimethyl-5-(oxolan-3-ylcarbamoyl)benzenesulfonyl chloride
CID 80716250
3-fluoro-2-methyl-5-(oxan-4-ylcarbamoyl)benzenesulfonyl chloride
CID 65370571

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-(oxolan-3-yl)-5-sulfamoylbenzamide?
The IUPAC name of 4-bromo-3-fluoro-N-(oxolan-3-yl)-5-sulfamoylbenzamide (CID 80716129) is 4-bromo-3-fluoro-N-(oxolan-3-yl)-5-sulfamoylbenzamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-(oxolan-3-yl)-5-sulfamoylbenzamide?
The canonical SMILES for 4-bromo-3-fluoro-N-(oxolan-3-yl)-5-sulfamoylbenzamide is NS(=O)(=O)c1cc(C(=O)NC2CCOC2)cc(F)c1Br.
What is the InChIKey of 4-bromo-3-fluoro-N-(oxolan-3-yl)-5-sulfamoylbenzamide?
The InChIKey is VHCPFTORGWCTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFN2O4S/c12-10-8(13)3-6(4-9(10)20(14,17)18)11(16)15-7-1-2-19-5-7/h3-4,7H,1-2,5H2,(H,15,16)(H2,14,17,18).
What are the key properties of 4-bromo-3-fluoro-N-(oxolan-3-yl)-5-sulfamoylbenzamide?
4-bromo-3-fluoro-N-(oxolan-3-yl)-5-sulfamoylbenzamide has a molecular weight of 367.20 g/mol, XLogP of 0.75, 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-(oxolan-3-yl)-5-sulfamoylbenzamide is sourced from PubChem (CID 80716129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).