1,5-dimethyl-N-[4-methyl-2-(trifluoromethyl)-1,3-dioxolan-2-yl]pyrazole-4-sulfonamide

C10H14F3N3O4S — CID 154765954

IUPAC1,5-dimethyl-N-[4-methyl-2-(trifluoromethyl)-1,3-dioxolan-2-yl]pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NC2(C(F)(F)F)OCC(C)O2)cnn1C
InChIInChI=1S/C10H14F3N3O4S/c1-6-5-19-10(20-6,9(11,12)13)15-21(17,18)8-4-14-16(3)7(8)2/h4,6,15H,5H2,1-3H3
InChIKeyRXVKDEFEESHQGS-UHFFFAOYSA-N
MW329.30 g/mol
LogP0.66
Rot. Bonds3

About 1,5-dimethyl-N-[4-methyl-2-(trifluoromethyl)-1,3-dioxolan-2-yl]pyrazole-4-sulfonamide

1,5-dimethyl-N-[4-methyl-2-(trifluoromethyl)-1,3-dioxolan-2-yl]pyrazole-4-sulfonamide (PubChem CID 154765954) has the molecular formula C10H14F3N3O4S and a molecular weight of 329.30 g/mol. Its IUPAC name is 1,5-dimethyl-N-[4-methyl-2-(trifluoromethyl)-1,3-dioxolan-2-yl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[4-methyl-2-(trifluoromethyl)-1,3-dioxolan-2-yl]pyrazole-4-sulfonamide
PubChem CID154765954
Molecular FormulaC10H14F3N3O4S
Molecular Weight329.30 g/mol
Exact Mass329.07
IUPAC Name1,5-dimethyl-N-[4-methyl-2-(trifluoromethyl)-1,3-dioxolan-2-yl]pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NC2(C(F)(F)F)OCC(C)O2)cnn1C
InChIInChI=1S/C10H14F3N3O4S/c1-6-5-19-10(20-6,9(11,12)13)15-21(17,18)8-4-14-16(3)7(8)2/h4,6,15H,5H2,1-3H3
InChIKeyRXVKDEFEESHQGS-UHFFFAOYSA-N
XLogP0.66
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.30
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[4-methyl-2-(trifluoromethyl)-1,3-dioxolan-2-yl]pyrazole-4-sulfonamide?
The IUPAC name of 1,5-dimethyl-N-[4-methyl-2-(trifluoromethyl)-1,3-dioxolan-2-yl]pyrazole-4-sulfonamide (CID 154765954) is 1,5-dimethyl-N-[4-methyl-2-(trifluoromethyl)-1,3-dioxolan-2-yl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1,5-dimethyl-N-[4-methyl-2-(trifluoromethyl)-1,3-dioxolan-2-yl]pyrazole-4-sulfonamide?
The canonical SMILES for 1,5-dimethyl-N-[4-methyl-2-(trifluoromethyl)-1,3-dioxolan-2-yl]pyrazole-4-sulfonamide is Cc1c(S(=O)(=O)NC2(C(F)(F)F)OCC(C)O2)cnn1C.
What is the InChIKey of 1,5-dimethyl-N-[4-methyl-2-(trifluoromethyl)-1,3-dioxolan-2-yl]pyrazole-4-sulfonamide?
The InChIKey is RXVKDEFEESHQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O4S/c1-6-5-19-10(20-6,9(11,12)13)15-21(17,18)8-4-14-16(3)7(8)2/h4,6,15H,5H2,1-3H3.
What are the key properties of 1,5-dimethyl-N-[4-methyl-2-(trifluoromethyl)-1,3-dioxolan-2-yl]pyrazole-4-sulfonamide?
1,5-dimethyl-N-[4-methyl-2-(trifluoromethyl)-1,3-dioxolan-2-yl]pyrazole-4-sulfonamide has a molecular weight of 329.30 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[4-methyl-2-(trifluoromethyl)-1,3-dioxolan-2-yl]pyrazole-4-sulfonamide is sourced from PubChem (CID 154765954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).