4-(prop-2-enylsulfamoyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide

C13H11F3N4O3S2 — CID 38783251

IUPAC4-(prop-2-enylsulfamoyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)Nc2nnc(C(F)(F)F)s2)cc1
InChIInChI=1S/C13H11F3N4O3S2/c1-2-7-17-25(22,23)9-5-3-8(4-6-9)10(21)18-12-20-19-11(24-12)13(14,15)16/h2-6,17H,1,7H2,(H,18,20,21)
InChIKeyKHVLBPCILHBJKG-UHFFFAOYSA-N
MW392.38 g/mol
LogP2.27
Rot. Bonds6

About 4-(prop-2-enylsulfamoyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide

4-(prop-2-enylsulfamoyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 38783251) has the molecular formula C13H11F3N4O3S2 and a molecular weight of 392.38 g/mol. Its IUPAC name is 4-(prop-2-enylsulfamoyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-(prop-2-enylsulfamoyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID38783251
Molecular FormulaC13H11F3N4O3S2
Molecular Weight392.38 g/mol
Exact Mass392.02
IUPAC Name4-(prop-2-enylsulfamoyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)Nc2nnc(C(F)(F)F)s2)cc1
InChIInChI=1S/C13H11F3N4O3S2/c1-2-7-17-25(22,23)9-5-3-8(4-6-9)10(21)18-12-20-19-11(24-12)13(14,15)16/h2-6,17H,1,7H2,(H,18,20,21)
InChIKeyKHVLBPCILHBJKG-UHFFFAOYSA-N
XLogP2.27
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(prop-2-enylsulfamoyl)benzoic acid
CID 2512621
4-(methylsulfonylmethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 38782405
N-(4-anilinophenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 18278951
N-[4-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide
CID 38782851
CID 177325548
CID 177325548
3,4-dichloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1077804
N-[5-[[(4-methylphenyl)sulfonylamino]methyl]-1,3,4-thiadiazol-2-yl]-4-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 3983907
4-(prop-2-enylsulfamoyl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide
CID 55554211
N-(2-chlorophenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 19258058
N-(4-methoxyphenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 19258037
4-(1,3-dithiolan-2-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 38782402
N-(2,6-diethylphenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 109058553

Frequently Asked Questions

What is the IUPAC name of 4-(prop-2-enylsulfamoyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 4-(prop-2-enylsulfamoyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 38783251) is 4-(prop-2-enylsulfamoyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 4-(prop-2-enylsulfamoyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 4-(prop-2-enylsulfamoyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide is C=CCNS(=O)(=O)c1ccc(C(=O)Nc2nnc(C(F)(F)F)s2)cc1.
What is the InChIKey of 4-(prop-2-enylsulfamoyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is KHVLBPCILHBJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4O3S2/c1-2-7-17-25(22,23)9-5-3-8(4-6-9)10(21)18-12-20-19-11(24-12)13(14,15)16/h2-6,17H,1,7H2,(H,18,20,21).
What are the key properties of 4-(prop-2-enylsulfamoyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
4-(prop-2-enylsulfamoyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 392.38 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(prop-2-enylsulfamoyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 38783251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).