4-bromo-3-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide

C9H7BrF4N2O3S — CID 65374272

IUPAC4-bromo-3-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESNS(=O)(=O)c1cc(C(=O)NCC(F)(F)F)cc(F)c1Br
InChIInChI=1S/C9H7BrF4N2O3S/c10-7-5(11)1-4(2-6(7)20(15,18)19)8(17)16-3-9(12,13)14/h1-2H,3H2,(H,16,17)(H2,15,18,19)
InChIKeyMDWYBNQSTVBRIZ-UHFFFAOYSA-N
MW379.13 g/mol
LogP1.53
Rot. Bonds3

About 4-bromo-3-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide

4-bromo-3-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 65374272) has the molecular formula C9H7BrF4N2O3S and a molecular weight of 379.13 g/mol. Its IUPAC name is 4-bromo-3-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID65374272
Molecular FormulaC9H7BrF4N2O3S
Molecular Weight379.13 g/mol
Exact Mass377.93
IUPAC Name4-bromo-3-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESNS(=O)(=O)c1cc(C(=O)NCC(F)(F)F)cc(F)c1Br
InChIInChI=1S/C9H7BrF4N2O3S/c10-7-5(11)1-4(2-6(7)20(15,18)19)8(17)16-3-9(12,13)14/h1-2H,3H2,(H,16,17)(H2,15,18,19)
InChIKeyMDWYBNQSTVBRIZ-UHFFFAOYSA-N
XLogP1.53
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.13
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-ethyl-3-fluoro-5-sulfamoylbenzamide
CID 65374812
3,4-dichloro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 65374285
4-bromo-N-(cyclopropylmethyl)-3-fluoro-5-sulfamoylbenzamide
CID 65373308
4-bromo-3-fluoro-N-(3-methylpentan-3-yl)-5-sulfamoylbenzamide
CID 106331541
2-bromo-4-fluoro-5-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride
CID 65370283
2,6-difluoro-3-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 62091869
4-bromo-N-butan-2-yl-3-fluoro-N-methyl-5-sulfamoylbenzamide
CID 65386993
3-methoxypropyl 4-bromo-3-fluoro-5-sulfamoylbenzoate
CID 65382042
4-bromo-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 103830485
4-bromo-3-sulfamoyl-N-(3,3,3-trifluoropropyl)benzamide
CID 65387521
5-fluoro-2-methyl-3-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 65373702
5-chloro-2-fluoro-3-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 65373130

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-bromo-3-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide (CID 65374272) is 4-bromo-3-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-bromo-3-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-bromo-3-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide is NS(=O)(=O)c1cc(C(=O)NCC(F)(F)F)cc(F)c1Br.
What is the InChIKey of 4-bromo-3-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is MDWYBNQSTVBRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF4N2O3S/c10-7-5(11)1-4(2-6(7)20(15,18)19)8(17)16-3-9(12,13)14/h1-2H,3H2,(H,16,17)(H2,15,18,19).
What are the key properties of 4-bromo-3-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide?
4-bromo-3-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 379.13 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 65374272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).