2-bromo-5-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide

C11H10BrF3N2O3S — CID 106219415

IUPAC2-bromo-5-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
SMILESNS(=O)(=O)c1ccc(Br)c(C(=O)NC2(C(F)(F)F)CC2)c1
InChIInChI=1S/C11H10BrF3N2O3S/c12-8-2-1-6(21(16,19)20)5-7(8)9(18)17-10(3-4-10)11(13,14)15/h1-2,5H,3-4H2,(H,17,18)(H2,16,19,20)
InChIKeySBYIVSCEOMJZLH-UHFFFAOYSA-N
MW387.18 g/mol
LogP1.92
Rot. Bonds3

About 2-bromo-5-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide

2-bromo-5-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide (PubChem CID 106219415) has the molecular formula C11H10BrF3N2O3S and a molecular weight of 387.18 g/mol. Its IUPAC name is 2-bromo-5-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
PubChem CID106219415
Molecular FormulaC11H10BrF3N2O3S
Molecular Weight387.18 g/mol
Exact Mass385.95
IUPAC Name2-bromo-5-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
SMILESNS(=O)(=O)c1ccc(Br)c(C(=O)NC2(C(F)(F)F)CC2)c1
InChIInChI=1S/C11H10BrF3N2O3S/c12-8-2-1-6(21(16,19)20)5-7(8)9(18)17-10(3-4-10)11(13,14)15/h1-2,5H,3-4H2,(H,17,18)(H2,16,19,20)
InChIKeySBYIVSCEOMJZLH-UHFFFAOYSA-N
XLogP1.92
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.18
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 114159062
2-bromo-5-iodo-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106547554
3-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106213729
2-bromo-5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]benzoic acid
CID 106209132
4-bromo-3-(trifluoromethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 103808061
2-bromo-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-sulfamoylbenzamide
CID 60555860
3-fluoro-4-[[1-(trifluoromethyl)cyclopropyl]amino]benzenesulfonamide
CID 106214896
5-amino-2,4-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106208292
3-bromo-5-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]benzenesulfonyl chloride
CID 106213459
3-amino-5-methylsulfonyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106208285
methyl 2-bromo-5-sulfamoylbenzoate
CID 43828340
2-bromo-N-(1-oxothian-4-yl)-5-sulfamoylbenzamide
CID 115886717

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
The IUPAC name of 2-bromo-5-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide (CID 106219415) is 2-bromo-5-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide.
What is the SMILES notation for 2-bromo-5-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
The canonical SMILES for 2-bromo-5-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide is NS(=O)(=O)c1ccc(Br)c(C(=O)NC2(C(F)(F)F)CC2)c1.
What is the InChIKey of 2-bromo-5-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
The InChIKey is SBYIVSCEOMJZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF3N2O3S/c12-8-2-1-6(21(16,19)20)5-7(8)9(18)17-10(3-4-10)11(13,14)15/h1-2,5H,3-4H2,(H,17,18)(H2,16,19,20).
What are the key properties of 2-bromo-5-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
2-bromo-5-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide has a molecular weight of 387.18 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide is sourced from PubChem (CID 106219415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).