3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide

C18H15F3N4O4S — CID 55896243

IUPAC3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1nnc(-c2ccccc2NS(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)o1
InChIInChI=1S/C18H15F3N4O4S/c1-11-23-24-17(29-11)14-7-2-3-8-15(14)25-30(27,28)13-6-4-5-12(9-13)16(26)22-10-18(19,20)21/h2-9,25H,10H2,1H3,(H,22,26)
InChIKeyQNLRMNZRJFMNFF-UHFFFAOYSA-N
MW440.40 g/mol
LogP3.14
Rot. Bonds6

About 3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide

3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 55896243) has the molecular formula C18H15F3N4O4S and a molecular weight of 440.40 g/mol. Its IUPAC name is 3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID55896243
Molecular FormulaC18H15F3N4O4S
Molecular Weight440.40 g/mol
Exact Mass440.08
IUPAC Name3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1nnc(-c2ccccc2NS(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)o1
InChIInChI=1S/C18H15F3N4O4S/c1-11-23-24-17(29-11)14-7-2-3-8-15(14)25-30(27,28)13-6-4-5-12(9-13)16(26)22-10-18(19,20)21/h2-9,25H,10H2,1H3,(H,22,26)
InChIKeyQNLRMNZRJFMNFF-UHFFFAOYSA-N
XLogP3.14
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.40
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide with MolForge

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Related Compounds

3-[(2-bromophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 60532880
3-[(2-methoxy-3-pyridinyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 55901843
3-[(5-bromo-2-methoxyphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 60533253
3-[(2,5-dimethoxyphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 55878516
3-[[2-(tetrazol-1-yl)phenyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 52700082
3-fluoro-4-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
CID 60534651
N-prop-2-enyl-2-[[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]sulfonylamino]benzamide
CID 55879588
2-methyl-5-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]sulfamoyl]benzamide
CID 60532014
3-[(2-amino-2-methylpropyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119988475
3-[(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 55896287
3-(tribromomethylsulfonyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 18717059
N-(2,2,2-trifluoroethyl)-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 37064206

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide (CID 55896243) is 3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide is Cc1nnc(-c2ccccc2NS(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)o1.
What is the InChIKey of 3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is QNLRMNZRJFMNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O4S/c1-11-23-24-17(29-11)14-7-2-3-8-15(14)25-30(27,28)13-6-4-5-12(9-13)16(26)22-10-18(19,20)21/h2-9,25H,10H2,1H3,(H,22,26).
What are the key properties of 3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 440.40 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 55896243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).