N-methyl-N-methylsulfonyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide

C13H12F3N3O3S — CID 71969427

IUPACN-methyl-N-methylsulfonyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESCN(C(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1)S(C)(=O)=O
InChIInChI=1S/C13H12F3N3O3S/c1-18(23(2,21)22)12(20)9-4-3-5-10(8-9)19-7-6-11(17-19)13(14,15)16/h3-8H,1-2H3
InChIKeyYURRVUSFAHHMQT-UHFFFAOYSA-N
MW347.32 g/mol
LogP1.92
Rot. Bonds3

About N-methyl-N-methylsulfonyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide

N-methyl-N-methylsulfonyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide (PubChem CID 71969427) has the molecular formula C13H12F3N3O3S and a molecular weight of 347.32 g/mol. Its IUPAC name is N-methyl-N-methylsulfonyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide.

Molecular Properties

Compound NameN-methyl-N-methylsulfonyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
PubChem CID71969427
Molecular FormulaC13H12F3N3O3S
Molecular Weight347.32 g/mol
Exact Mass347.06
IUPAC NameN-methyl-N-methylsulfonyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESCN(C(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1)S(C)(=O)=O
InChIInChI=1S/C13H12F3N3O3S/c1-18(23(2,21)22)12(20)9-4-3-5-10(8-9)19-7-6-11(17-19)13(14,15)16/h3-8H,1-2H3
InChIKeyYURRVUSFAHHMQT-UHFFFAOYSA-N
XLogP1.92
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.32
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-methylsulfonyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The IUPAC name of N-methyl-N-methylsulfonyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide (CID 71969427) is N-methyl-N-methylsulfonyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide.
What is the SMILES notation for N-methyl-N-methylsulfonyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The canonical SMILES for N-methyl-N-methylsulfonyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide is CN(C(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-methylsulfonyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The InChIKey is YURRVUSFAHHMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O3S/c1-18(23(2,21)22)12(20)9-4-3-5-10(8-9)19-7-6-11(17-19)13(14,15)16/h3-8H,1-2H3.
What are the key properties of N-methyl-N-methylsulfonyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide?
N-methyl-N-methylsulfonyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide has a molecular weight of 347.32 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-methylsulfonyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide is sourced from PubChem (CID 71969427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).