4-bromo-3-sulfamoyl-N-(3,3,3-trifluoropropyl)benzamide

C10H10BrF3N2O3S — CID 65387521

IUPAC4-bromo-3-sulfamoyl-N-(3,3,3-trifluoropropyl)benzamide
SMILESNS(=O)(=O)c1cc(C(=O)NCCC(F)(F)F)ccc1Br
InChIInChI=1S/C10H10BrF3N2O3S/c11-7-2-1-6(5-8(7)20(15,18)19)9(17)16-4-3-10(12,13)14/h1-2,5H,3-4H2,(H,16,17)(H2,15,18,19)
InChIKeySSZYAKMSROQJEJ-UHFFFAOYSA-N
MW375.17 g/mol
LogP1.78
Rot. Bonds4

About 4-bromo-3-sulfamoyl-N-(3,3,3-trifluoropropyl)benzamide

4-bromo-3-sulfamoyl-N-(3,3,3-trifluoropropyl)benzamide (PubChem CID 65387521) has the molecular formula C10H10BrF3N2O3S and a molecular weight of 375.17 g/mol. Its IUPAC name is 4-bromo-3-sulfamoyl-N-(3,3,3-trifluoropropyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-sulfamoyl-N-(3,3,3-trifluoropropyl)benzamide
PubChem CID65387521
Molecular FormulaC10H10BrF3N2O3S
Molecular Weight375.17 g/mol
Exact Mass373.95
IUPAC Name4-bromo-3-sulfamoyl-N-(3,3,3-trifluoropropyl)benzamide
SMILESNS(=O)(=O)c1cc(C(=O)NCCC(F)(F)F)ccc1Br
InChIInChI=1S/C10H10BrF3N2O3S/c11-7-2-1-6(5-8(7)20(15,18)19)9(17)16-4-3-10(12,13)14/h1-2,5H,3-4H2,(H,16,17)(H2,15,18,19)
InChIKeySSZYAKMSROQJEJ-UHFFFAOYSA-N
XLogP1.78
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.17
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)benzamide
CID 81433410
4-bromo-N-(3-methylbutyl)-3-sulfamoylbenzamide
CID 38768051
4-bromo-3-hydroxy-N-(4,4,4-trifluorobutyl)benzamide
CID 103873578
4-bromo-3-nitro-N-(3,3,3-trifluoropropyl)benzamide
CID 63226688
4-bromo-N-[(1-methylcyclobutyl)methyl]-3-sulfamoylbenzamide
CID 113252067
4-bromo-3-methyl-N-(4,4,4-trifluorobutyl)benzamide
CID 113339239
2,5-difluoro-3-sulfamoyl-N-(3,3,3-trifluoropropyl)benzamide
CID 65388478
4-bromo-3-(4,4,4-trifluorobutylsulfamoyl)benzoic acid
CID 115515879
2-methyl-4-sulfamoyl-N-(3,3,3-trifluoropropyl)benzamide
CID 63228100
4-bromo-N-[(1-propan-2-ylcyclopropyl)methyl]-3-sulfamoylbenzamide
CID 103743847
6-bromo-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
CID 66465126
4-fluoro-3-sulfanyl-N-(3,3,3-trifluoropropyl)benzamide
CID 107029487

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-sulfamoyl-N-(3,3,3-trifluoropropyl)benzamide?
The IUPAC name of 4-bromo-3-sulfamoyl-N-(3,3,3-trifluoropropyl)benzamide (CID 65387521) is 4-bromo-3-sulfamoyl-N-(3,3,3-trifluoropropyl)benzamide.
What is the SMILES notation for 4-bromo-3-sulfamoyl-N-(3,3,3-trifluoropropyl)benzamide?
The canonical SMILES for 4-bromo-3-sulfamoyl-N-(3,3,3-trifluoropropyl)benzamide is NS(=O)(=O)c1cc(C(=O)NCCC(F)(F)F)ccc1Br.
What is the InChIKey of 4-bromo-3-sulfamoyl-N-(3,3,3-trifluoropropyl)benzamide?
The InChIKey is SSZYAKMSROQJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3N2O3S/c11-7-2-1-6(5-8(7)20(15,18)19)9(17)16-4-3-10(12,13)14/h1-2,5H,3-4H2,(H,16,17)(H2,15,18,19).
What are the key properties of 4-bromo-3-sulfamoyl-N-(3,3,3-trifluoropropyl)benzamide?
4-bromo-3-sulfamoyl-N-(3,3,3-trifluoropropyl)benzamide has a molecular weight of 375.17 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-sulfamoyl-N-(3,3,3-trifluoropropyl)benzamide is sourced from PubChem (CID 65387521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).