3-(propan-2-ylsulfamoyl)-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]benzamide

C14H15F3N4O3S — CID 71847685

IUPAC3-(propan-2-ylsulfamoyl)-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]benzamide
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)Nc2ncc(C(F)(F)F)[nH]2)c1
InChIInChI=1S/C14H15F3N4O3S/c1-8(2)21-25(23,24)10-5-3-4-9(6-10)12(22)20-13-18-7-11(19-13)14(15,16)17/h3-8,21H,1-2H3,(H2,18,19,20,22)
InChIKeyPVHBTDXDZSGGDQ-UHFFFAOYSA-N
MW376.36 g/mol
LogP2.37
Rot. Bonds5

About 3-(propan-2-ylsulfamoyl)-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]benzamide

3-(propan-2-ylsulfamoyl)-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]benzamide (PubChem CID 71847685) has the molecular formula C14H15F3N4O3S and a molecular weight of 376.36 g/mol. Its IUPAC name is 3-(propan-2-ylsulfamoyl)-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]benzamide.

Molecular Properties

Compound Name3-(propan-2-ylsulfamoyl)-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]benzamide
PubChem CID71847685
Molecular FormulaC14H15F3N4O3S
Molecular Weight376.36 g/mol
Exact Mass376.08
IUPAC Name3-(propan-2-ylsulfamoyl)-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]benzamide
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)Nc2ncc(C(F)(F)F)[nH]2)c1
InChIInChI=1S/C14H15F3N4O3S/c1-8(2)21-25(23,24)10-5-3-4-9(6-10)12(22)20-13-18-7-11(19-13)14(15,16)17/h3-8,21H,1-2H3,(H2,18,19,20,22)
InChIKeyPVHBTDXDZSGGDQ-UHFFFAOYSA-N
XLogP2.37
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 46689087
3-(propan-2-ylsulfamoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
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N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-(propan-2-ylsulfamoyl)benzamide
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N-(3-aminopropyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
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CID 26691619

Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-ylsulfamoyl)-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]benzamide?
The IUPAC name of 3-(propan-2-ylsulfamoyl)-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]benzamide (CID 71847685) is 3-(propan-2-ylsulfamoyl)-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]benzamide.
What is the SMILES notation for 3-(propan-2-ylsulfamoyl)-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]benzamide?
The canonical SMILES for 3-(propan-2-ylsulfamoyl)-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]benzamide is CC(C)NS(=O)(=O)c1cccc(C(=O)Nc2ncc(C(F)(F)F)[nH]2)c1.
What is the InChIKey of 3-(propan-2-ylsulfamoyl)-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]benzamide?
The InChIKey is PVHBTDXDZSGGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O3S/c1-8(2)21-25(23,24)10-5-3-4-9(6-10)12(22)20-13-18-7-11(19-13)14(15,16)17/h3-8,21H,1-2H3,(H2,18,19,20,22).
What are the key properties of 3-(propan-2-ylsulfamoyl)-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]benzamide?
3-(propan-2-ylsulfamoyl)-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]benzamide has a molecular weight of 376.36 g/mol, XLogP of 2.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-ylsulfamoyl)-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]benzamide is sourced from PubChem (CID 71847685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).