4-bromo-2-(methanesulfonamido)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide

C13H14BrF3N2O3S — CID 166981835

IUPAC4-bromo-2-(methanesulfonamido)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide
SMILESC=C(CCC(F)(F)F)NC(=O)c1ccc(Br)cc1NS(C)(=O)=O
InChIInChI=1S/C13H14BrF3N2O3S/c1-8(5-6-13(15,16)17)18-12(20)10-4-3-9(14)7-11(10)19-23(2,21)22/h3-4,7,19H,1,5-6H2,2H3,(H,18,20)
InChIKeyTTZZEEVXRZUVJR-UHFFFAOYSA-N
MW415.23 g/mol
LogP3.41
Rot. Bonds6

About 4-bromo-2-(methanesulfonamido)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide

4-bromo-2-(methanesulfonamido)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide (PubChem CID 166981835) has the molecular formula C13H14BrF3N2O3S and a molecular weight of 415.23 g/mol. Its IUPAC name is 4-bromo-2-(methanesulfonamido)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide.

Molecular Properties

Compound Name4-bromo-2-(methanesulfonamido)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide
PubChem CID166981835
Molecular FormulaC13H14BrF3N2O3S
Molecular Weight415.23 g/mol
Exact Mass413.99
IUPAC Name4-bromo-2-(methanesulfonamido)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide
SMILESC=C(CCC(F)(F)F)NC(=O)c1ccc(Br)cc1NS(C)(=O)=O
InChIInChI=1S/C13H14BrF3N2O3S/c1-8(5-6-13(15,16)17)18-12(20)10-4-3-9(14)7-11(10)19-23(2,21)22/h3-4,7,19H,1,5-6H2,2H3,(H,18,20)
InChIKeyTTZZEEVXRZUVJR-UHFFFAOYSA-N
XLogP3.41
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.23
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-bromo-2-(methanesulfonamido)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(methanesulfonamido)-5-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide
CID 166770507
2-[(4-fluorophenyl)sulfonylamino]-4-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide
CID 166770495
5-methylsulfonyl-2-[[4-(pentafluoro-λ6-sulfanyl)phenyl]sulfonylamino]-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide
CID 166770435
1-(5-bromo-2-fluorophenyl)-4,4,4-trifluorobutan-1-one
CID 79953274
4-bromo-2-(4,4,4-trifluorobutylamino)benzoic acid
CID 114907470
5-bromo-2-fluoro-N-[2-(methanesulfonamido)ethyl]benzamide
CID 36909799
methyl 5-bromo-2-[[2-[4-bromo-2-(methanesulfonamido)phenyl]-2-oxoethyl]sulfonylamino]benzoate
CID 174486678
4-bromo-2-(propylsulfamoylamino)benzenecarbothioamide
CID 107799023
N-(4-bromo-2-ethylphenyl)methanesulfonamide
CID 6469152
N-(5-bromo-2-hydroxyphenyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059561
4-bromo-2-(propylsulfamoylamino)benzoic acid
CID 114805702
4-bromo-2-[(2-methyl-2-methylsulfonylpropyl)amino]benzenecarbothioamide
CID 114903357

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(methanesulfonamido)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide?
The IUPAC name of 4-bromo-2-(methanesulfonamido)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide (CID 166981835) is 4-bromo-2-(methanesulfonamido)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide.
What is the SMILES notation for 4-bromo-2-(methanesulfonamido)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide?
The canonical SMILES for 4-bromo-2-(methanesulfonamido)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide is C=C(CCC(F)(F)F)NC(=O)c1ccc(Br)cc1NS(C)(=O)=O.
What is the InChIKey of 4-bromo-2-(methanesulfonamido)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide?
The InChIKey is TTZZEEVXRZUVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrF3N2O3S/c1-8(5-6-13(15,16)17)18-12(20)10-4-3-9(14)7-11(10)19-23(2,21)22/h3-4,7,19H,1,5-6H2,2H3,(H,18,20).
What are the key properties of 4-bromo-2-(methanesulfonamido)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide?
4-bromo-2-(methanesulfonamido)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide has a molecular weight of 415.23 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(methanesulfonamido)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide is sourced from PubChem (CID 166981835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).