1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-4-methyl-2,3-dihydroquinoxaline

C14H16F2N4O2S — CID 46382925

IUPAC1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-4-methyl-2,3-dihydroquinoxaline
SMILESCc1c(S(=O)(=O)N2CCN(C)c3ccccc32)cnn1C(F)F
InChIInChI=1S/C14H16F2N4O2S/c1-10-13(9-17-20(10)14(15)16)23(21,22)19-8-7-18(2)11-5-3-4-6-12(11)19/h3-6,9,14H,7-8H2,1-2H3
InChIKeyJWQYHNHZJMLIFB-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.23
Rot. Bonds3

About 1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-4-methyl-2,3-dihydroquinoxaline

1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-4-methyl-2,3-dihydroquinoxaline (PubChem CID 46382925) has the molecular formula C14H16F2N4O2S and a molecular weight of 342.37 g/mol. Its IUPAC name is 1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-4-methyl-2,3-dihydroquinoxaline.

Molecular Properties

Compound Name1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-4-methyl-2,3-dihydroquinoxaline
PubChem CID46382925
Molecular FormulaC14H16F2N4O2S
Molecular Weight342.37 g/mol
Exact Mass342.10
IUPAC Name1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-4-methyl-2,3-dihydroquinoxaline
SMILESCc1c(S(=O)(=O)N2CCN(C)c3ccccc32)cnn1C(F)F
InChIInChI=1S/C14H16F2N4O2S/c1-10-13(9-17-20(10)14(15)16)23(21,22)19-8-7-18(2)11-5-3-4-6-12(11)19/h3-6,9,14H,7-8H2,1-2H3
InChIKeyJWQYHNHZJMLIFB-UHFFFAOYSA-N
XLogP2.23
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-4-methyl-2,3-dihydroquinoxaline?
The IUPAC name of 1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-4-methyl-2,3-dihydroquinoxaline (CID 46382925) is 1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-4-methyl-2,3-dihydroquinoxaline.
What is the SMILES notation for 1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-4-methyl-2,3-dihydroquinoxaline?
The canonical SMILES for 1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-4-methyl-2,3-dihydroquinoxaline is Cc1c(S(=O)(=O)N2CCN(C)c3ccccc32)cnn1C(F)F.
What is the InChIKey of 1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-4-methyl-2,3-dihydroquinoxaline?
The InChIKey is JWQYHNHZJMLIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4O2S/c1-10-13(9-17-20(10)14(15)16)23(21,22)19-8-7-18(2)11-5-3-4-6-12(11)19/h3-6,9,14H,7-8H2,1-2H3.
What are the key properties of 1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-4-methyl-2,3-dihydroquinoxaline?
1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-4-methyl-2,3-dihydroquinoxaline has a molecular weight of 342.37 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-4-methyl-2,3-dihydroquinoxaline is sourced from PubChem (CID 46382925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).