N-[4-(diethylsulfamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C16H19F3N4O3S — CID 24895539

IUPACN-[4-(diethylsulfamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc(C(F)(F)F)nn2C)cc1
InChIInChI=1S/C16H19F3N4O3S/c1-4-23(5-2)27(25,26)12-8-6-11(7-9-12)20-15(24)13-10-14(16(17,18)19)21-22(13)3/h6-10H,4-5H2,1-3H3,(H,20,24)
InChIKeyCSJLRNWSNTWJBM-UHFFFAOYSA-N
MW404.41 g/mol
LogP2.72
Rot. Bonds6

About N-[4-(diethylsulfamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

N-[4-(diethylsulfamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 24895539) has the molecular formula C16H19F3N4O3S and a molecular weight of 404.41 g/mol. Its IUPAC name is N-[4-(diethylsulfamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylsulfamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID24895539
Molecular FormulaC16H19F3N4O3S
Molecular Weight404.41 g/mol
Exact Mass404.11
IUPAC NameN-[4-(diethylsulfamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc(C(F)(F)F)nn2C)cc1
InChIInChI=1S/C16H19F3N4O3S/c1-4-23(5-2)27(25,26)12-8-6-11(7-9-12)20-15(24)13-10-14(16(17,18)19)21-22(13)3/h6-10H,4-5H2,1-3H3,(H,20,24)
InChIKeyCSJLRNWSNTWJBM-UHFFFAOYSA-N
XLogP2.72
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 24895539) is N-[4-(diethylsulfamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-(diethylsulfamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[4-(diethylsulfamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc(C(F)(F)F)nn2C)cc1.
What is the InChIKey of N-[4-(diethylsulfamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is CSJLRNWSNTWJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O3S/c1-4-23(5-2)27(25,26)12-8-6-11(7-9-12)20-15(24)13-10-14(16(17,18)19)21-22(13)3/h6-10H,4-5H2,1-3H3,(H,20,24).
What are the key properties of N-[4-(diethylsulfamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-[4-(diethylsulfamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 404.41 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylsulfamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 24895539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).