4-[(1-methylpyrazol-4-yl)sulfamoyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

C19H17F3N4O3S — CID 25073176

IUPAC4-[(1-methylpyrazol-4-yl)sulfamoyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCn1cc(NS(=O)(=O)c2ccc(C(=O)NCc3ccc(C(F)(F)F)cc3)cc2)cn1
InChIInChI=1S/C19H17F3N4O3S/c1-26-12-16(11-24-26)25-30(28,29)17-8-4-14(5-9-17)18(27)23-10-13-2-6-15(7-3-13)19(20,21)22/h2-9,11-12,25H,10H2,1H3,(H,23,27)
InChIKeyCCWDJDLLJHGMES-UHFFFAOYSA-N
MW438.43 g/mol
LogP3.17
Rot. Bonds6

About 4-[(1-methylpyrazol-4-yl)sulfamoyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

4-[(1-methylpyrazol-4-yl)sulfamoyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 25073176) has the molecular formula C19H17F3N4O3S and a molecular weight of 438.43 g/mol. Its IUPAC name is 4-[(1-methylpyrazol-4-yl)sulfamoyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-[(1-methylpyrazol-4-yl)sulfamoyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID25073176
Molecular FormulaC19H17F3N4O3S
Molecular Weight438.43 g/mol
Exact Mass438.10
IUPAC Name4-[(1-methylpyrazol-4-yl)sulfamoyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCn1cc(NS(=O)(=O)c2ccc(C(=O)NCc3ccc(C(F)(F)F)cc3)cc2)cn1
InChIInChI=1S/C19H17F3N4O3S/c1-26-12-16(11-24-26)25-30(28,29)17-8-4-14(5-9-17)18(27)23-10-13-2-6-15(7-3-13)19(20,21)22/h2-9,11-12,25H,10H2,1H3,(H,23,27)
InChIKeyCCWDJDLLJHGMES-UHFFFAOYSA-N
XLogP3.17
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.43
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylpyrazol-4-yl)sulfamoyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-[(1-methylpyrazol-4-yl)sulfamoyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (CID 25073176) is 4-[(1-methylpyrazol-4-yl)sulfamoyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-[(1-methylpyrazol-4-yl)sulfamoyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-[(1-methylpyrazol-4-yl)sulfamoyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is Cn1cc(NS(=O)(=O)c2ccc(C(=O)NCc3ccc(C(F)(F)F)cc3)cc2)cn1.
What is the InChIKey of 4-[(1-methylpyrazol-4-yl)sulfamoyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is CCWDJDLLJHGMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O3S/c1-26-12-16(11-24-26)25-30(28,29)17-8-4-14(5-9-17)18(27)23-10-13-2-6-15(7-3-13)19(20,21)22/h2-9,11-12,25H,10H2,1H3,(H,23,27).
What are the key properties of 4-[(1-methylpyrazol-4-yl)sulfamoyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
4-[(1-methylpyrazol-4-yl)sulfamoyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 438.43 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylpyrazol-4-yl)sulfamoyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 25073176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).