N-[2-(difluoromethoxy)phenyl]sulfonyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide

C14H17F2N3O4S — CID 23050799

IUPACN-[2-(difluoromethoxy)phenyl]sulfonyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide
SMILESCC1=NN(C(=O)NS(=O)(=O)c2ccccc2OC(F)F)C(C)(C)C1
InChIInChI=1S/C14H17F2N3O4S/c1-9-8-14(2,3)19(17-9)13(20)18-24(21,22)11-7-5-4-6-10(11)23-12(15)16/h4-7,12H,8H2,1-3H3,(H,18,20)
InChIKeyIAUPTXPSDMEOMR-UHFFFAOYSA-N
MW361.37 g/mol
LogP2.55
Rot. Bonds4

About N-[2-(difluoromethoxy)phenyl]sulfonyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide

N-[2-(difluoromethoxy)phenyl]sulfonyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide (PubChem CID 23050799) has the molecular formula C14H17F2N3O4S and a molecular weight of 361.37 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]sulfonyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]sulfonyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide
PubChem CID23050799
Molecular FormulaC14H17F2N3O4S
Molecular Weight361.37 g/mol
Exact Mass361.09
IUPAC NameN-[2-(difluoromethoxy)phenyl]sulfonyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide
SMILESCC1=NN(C(=O)NS(=O)(=O)c2ccccc2OC(F)F)C(C)(C)C1
InChIInChI=1S/C14H17F2N3O4S/c1-9-8-14(2,3)19(17-9)13(20)18-24(21,22)11-7-5-4-6-10(11)23-12(15)16/h4-7,12H,8H2,1-3H3,(H,18,20)
InChIKeyIAUPTXPSDMEOMR-UHFFFAOYSA-N
XLogP2.55
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]sulfonyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]sulfonyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide (CID 23050799) is N-[2-(difluoromethoxy)phenyl]sulfonyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]sulfonyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]sulfonyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide is CC1=NN(C(=O)NS(=O)(=O)c2ccccc2OC(F)F)C(C)(C)C1.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]sulfonyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide?
The InChIKey is IAUPTXPSDMEOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O4S/c1-9-8-14(2,3)19(17-9)13(20)18-24(21,22)11-7-5-4-6-10(11)23-12(15)16/h4-7,12H,8H2,1-3H3,(H,18,20).
What are the key properties of N-[2-(difluoromethoxy)phenyl]sulfonyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide?
N-[2-(difluoromethoxy)phenyl]sulfonyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide has a molecular weight of 361.37 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]sulfonyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide is sourced from PubChem (CID 23050799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).