1-(2,2-difluoroethyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyrazole-4-sulfonamide

C10H12F2N4O3S — CID 131961116

IUPAC1-(2,2-difluoroethyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyrazole-4-sulfonamide
SMILESCc1noc(NS(=O)(=O)c2cnn(CC(F)F)c2)c1C
InChIInChI=1S/C10H12F2N4O3S/c1-6-7(2)14-19-10(6)15-20(17,18)8-3-13-16(4-8)5-9(11)12/h3-4,9,15H,5H2,1-2H3
InChIKeyQONGJIAJWMHFIC-UHFFFAOYSA-N
MW306.29 g/mol
LogP1.55
Rot. Bonds5

About 1-(2,2-difluoroethyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyrazole-4-sulfonamide

1-(2,2-difluoroethyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyrazole-4-sulfonamide (PubChem CID 131961116) has the molecular formula C10H12F2N4O3S and a molecular weight of 306.29 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyrazole-4-sulfonamide
PubChem CID131961116
Molecular FormulaC10H12F2N4O3S
Molecular Weight306.29 g/mol
Exact Mass306.06
IUPAC Name1-(2,2-difluoroethyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyrazole-4-sulfonamide
SMILESCc1noc(NS(=O)(=O)c2cnn(CC(F)F)c2)c1C
InChIInChI=1S/C10H12F2N4O3S/c1-6-7(2)14-19-10(6)15-20(17,18)8-3-13-16(4-8)5-9(11)12/h3-4,9,15H,5H2,1-2H3
InChIKeyQONGJIAJWMHFIC-UHFFFAOYSA-N
XLogP1.55
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(2,2-difluoroethyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyrazole-4-sulfonamide (CID 131961116) is 1-(2,2-difluoroethyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyrazole-4-sulfonamide is Cc1noc(NS(=O)(=O)c2cnn(CC(F)F)c2)c1C.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyrazole-4-sulfonamide?
The InChIKey is QONGJIAJWMHFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N4O3S/c1-6-7(2)14-19-10(6)15-20(17,18)8-3-13-16(4-8)5-9(11)12/h3-4,9,15H,5H2,1-2H3.
What are the key properties of 1-(2,2-difluoroethyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyrazole-4-sulfonamide?
1-(2,2-difluoroethyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyrazole-4-sulfonamide has a molecular weight of 306.29 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 131961116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).