N-but-3-enyl-2-(methanesulfonamido)-5-(trifluoromethyl)benzamide

C13H15F3N2O3S — CID 166770510

IUPACN-but-3-enyl-2-(methanesulfonamido)-5-(trifluoromethyl)benzamide
SMILESC=CCCNC(=O)c1cc(C(F)(F)F)ccc1NS(C)(=O)=O
InChIInChI=1S/C13H15F3N2O3S/c1-3-4-7-17-12(19)10-8-9(13(14,15)16)5-6-11(10)18-22(2,20)21/h3,5-6,8,18H,1,4,7H2,2H3,(H,17,19)
InChIKeyMMEMLRPZQPWKBK-UHFFFAOYSA-N
MW336.34 g/mol
LogP2.38
Rot. Bonds6

About N-but-3-enyl-2-(methanesulfonamido)-5-(trifluoromethyl)benzamide

N-but-3-enyl-2-(methanesulfonamido)-5-(trifluoromethyl)benzamide (PubChem CID 166770510) has the molecular formula C13H15F3N2O3S and a molecular weight of 336.34 g/mol. Its IUPAC name is N-but-3-enyl-2-(methanesulfonamido)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-but-3-enyl-2-(methanesulfonamido)-5-(trifluoromethyl)benzamide
PubChem CID166770510
Molecular FormulaC13H15F3N2O3S
Molecular Weight336.34 g/mol
Exact Mass336.08
IUPAC NameN-but-3-enyl-2-(methanesulfonamido)-5-(trifluoromethyl)benzamide
SMILESC=CCCNC(=O)c1cc(C(F)(F)F)ccc1NS(C)(=O)=O
InChIInChI=1S/C13H15F3N2O3S/c1-3-4-7-17-12(19)10-8-9(13(14,15)16)5-6-11(10)18-22(2,20)21/h3,5-6,8,18H,1,4,7H2,2H3,(H,17,19)
InChIKeyMMEMLRPZQPWKBK-UHFFFAOYSA-N
XLogP2.38
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(methanesulfonamido)-5-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide
CID 166770507
2-(tert-butylsulfonylamino)-N-(3-cyanobut-3-enyl)-5-(trifluoromethyl)benzamide
CID 166981869
N-(4-cyano-1-bicyclo[2.2.1]heptanyl)-2-(methanesulfonamido)-5-(trifluoromethyl)benzamide
CID 150330074
N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]-4-(methylamino)butanamide
CID 119775808
2-(methylsulfamoylamino)-5-(trifluoromethyl)benzoic acid
CID 114806531
1-but-3-enyl-3-[3-(trifluoromethyl)phenyl]urea
CID 113466196
2-(propan-2-ylsulfonylamino)-5-(trifluoromethyl)benzoic acid
CID 66269364
8-[[5-fluoro-2-(methanesulfonamido)benzoyl]amino]octanoic acid
CID 120535606
N-(2-amino-2-ethylbutyl)-2-fluoro-5-(trifluoromethyl)benzamide;hydrochloride
CID 119643636
(E)-N-[[3-ethenyl-4-(methanesulfonamido)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 11852583
N-but-3-enyl-2-fluoro-4-hydroxybenzamide
CID 107676829
2-fluoro-N-[2-(2-methoxyethylamino)ethyl]-5-(trifluoromethyl)benzamide
CID 82991096

Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-2-(methanesulfonamido)-5-(trifluoromethyl)benzamide?
The IUPAC name of N-but-3-enyl-2-(methanesulfonamido)-5-(trifluoromethyl)benzamide (CID 166770510) is N-but-3-enyl-2-(methanesulfonamido)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-but-3-enyl-2-(methanesulfonamido)-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-but-3-enyl-2-(methanesulfonamido)-5-(trifluoromethyl)benzamide is C=CCCNC(=O)c1cc(C(F)(F)F)ccc1NS(C)(=O)=O.
What is the InChIKey of N-but-3-enyl-2-(methanesulfonamido)-5-(trifluoromethyl)benzamide?
The InChIKey is MMEMLRPZQPWKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O3S/c1-3-4-7-17-12(19)10-8-9(13(14,15)16)5-6-11(10)18-22(2,20)21/h3,5-6,8,18H,1,4,7H2,2H3,(H,17,19).
What are the key properties of N-but-3-enyl-2-(methanesulfonamido)-5-(trifluoromethyl)benzamide?
N-but-3-enyl-2-(methanesulfonamido)-5-(trifluoromethyl)benzamide has a molecular weight of 336.34 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-2-(methanesulfonamido)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 166770510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).