N-[4-[di(propan-2-yl)sulfamoyl]phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C18H23F3N4O3S — CID 24895540

IUPACN-[4-[di(propan-2-yl)sulfamoyl]phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCC(C)N(C(C)C)S(=O)(=O)c1ccc(NC(=O)c2cc(C(F)(F)F)nn2C)cc1
InChIInChI=1S/C18H23F3N4O3S/c1-11(2)25(12(3)4)29(27,28)14-8-6-13(7-9-14)22-17(26)15-10-16(18(19,20)21)23-24(15)5/h6-12H,1-5H3,(H,22,26)
InChIKeyFNFHABHFPJXUKG-UHFFFAOYSA-N
MW432.47 g/mol
LogP3.50
Rot. Bonds6

About N-[4-[di(propan-2-yl)sulfamoyl]phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

N-[4-[di(propan-2-yl)sulfamoyl]phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 24895540) has the molecular formula C18H23F3N4O3S and a molecular weight of 432.47 g/mol. Its IUPAC name is N-[4-[di(propan-2-yl)sulfamoyl]phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[di(propan-2-yl)sulfamoyl]phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID24895540
Molecular FormulaC18H23F3N4O3S
Molecular Weight432.47 g/mol
Exact Mass432.14
IUPAC NameN-[4-[di(propan-2-yl)sulfamoyl]phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCC(C)N(C(C)C)S(=O)(=O)c1ccc(NC(=O)c2cc(C(F)(F)F)nn2C)cc1
InChIInChI=1S/C18H23F3N4O3S/c1-11(2)25(12(3)4)29(27,28)14-8-6-13(7-9-14)22-17(26)15-10-16(18(19,20)21)23-24(15)5/h6-12H,1-5H3,(H,22,26)
InChIKeyFNFHABHFPJXUKG-UHFFFAOYSA-N
XLogP3.50
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.47
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[di(propan-2-yl)sulfamoyl]phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-[4-[di(propan-2-yl)sulfamoyl]phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 24895540) is N-[4-[di(propan-2-yl)sulfamoyl]phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-[di(propan-2-yl)sulfamoyl]phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[4-[di(propan-2-yl)sulfamoyl]phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is CC(C)N(C(C)C)S(=O)(=O)c1ccc(NC(=O)c2cc(C(F)(F)F)nn2C)cc1.
What is the InChIKey of N-[4-[di(propan-2-yl)sulfamoyl]phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is FNFHABHFPJXUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N4O3S/c1-11(2)25(12(3)4)29(27,28)14-8-6-13(7-9-14)22-17(26)15-10-16(18(19,20)21)23-24(15)5/h6-12H,1-5H3,(H,22,26).
What are the key properties of N-[4-[di(propan-2-yl)sulfamoyl]phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-[4-[di(propan-2-yl)sulfamoyl]phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 432.47 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[di(propan-2-yl)sulfamoyl]phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 24895540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).