1-(2,2-difluoroethyl)-N-(4-ethyl-1,3-thiazol-5-yl)pyrazole-4-sulfonamide

C10H12F2N4O2S2 — CID 91652668

IUPAC1-(2,2-difluoroethyl)-N-(4-ethyl-1,3-thiazol-5-yl)pyrazole-4-sulfonamide
SMILESCCc1ncsc1NS(=O)(=O)c1cnn(CC(F)F)c1
InChIInChI=1S/C10H12F2N4O2S2/c1-2-8-10(19-6-13-8)15-20(17,18)7-3-14-16(4-7)5-9(11)12/h3-4,6,9,15H,2,5H2,1H3
InChIKeyGJZCHGIALARHOR-UHFFFAOYSA-N
MW322.36 g/mol
LogP1.97
Rot. Bonds6

About 1-(2,2-difluoroethyl)-N-(4-ethyl-1,3-thiazol-5-yl)pyrazole-4-sulfonamide

1-(2,2-difluoroethyl)-N-(4-ethyl-1,3-thiazol-5-yl)pyrazole-4-sulfonamide (PubChem CID 91652668) has the molecular formula C10H12F2N4O2S2 and a molecular weight of 322.36 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-(4-ethyl-1,3-thiazol-5-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-(4-ethyl-1,3-thiazol-5-yl)pyrazole-4-sulfonamide
PubChem CID91652668
Molecular FormulaC10H12F2N4O2S2
Molecular Weight322.36 g/mol
Exact Mass322.04
IUPAC Name1-(2,2-difluoroethyl)-N-(4-ethyl-1,3-thiazol-5-yl)pyrazole-4-sulfonamide
SMILESCCc1ncsc1NS(=O)(=O)c1cnn(CC(F)F)c1
InChIInChI=1S/C10H12F2N4O2S2/c1-2-8-10(19-6-13-8)15-20(17,18)7-3-14-16(4-7)5-9(11)12/h3-4,6,9,15H,2,5H2,1H3
InChIKeyGJZCHGIALARHOR-UHFFFAOYSA-N
XLogP1.97
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 51.97
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-(4-ethyl-1,3-thiazol-5-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(2,2-difluoroethyl)-N-(4-ethyl-1,3-thiazol-5-yl)pyrazole-4-sulfonamide (CID 91652668) is 1-(2,2-difluoroethyl)-N-(4-ethyl-1,3-thiazol-5-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-(4-ethyl-1,3-thiazol-5-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-(4-ethyl-1,3-thiazol-5-yl)pyrazole-4-sulfonamide is CCc1ncsc1NS(=O)(=O)c1cnn(CC(F)F)c1.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-(4-ethyl-1,3-thiazol-5-yl)pyrazole-4-sulfonamide?
The InChIKey is GJZCHGIALARHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N4O2S2/c1-2-8-10(19-6-13-8)15-20(17,18)7-3-14-16(4-7)5-9(11)12/h3-4,6,9,15H,2,5H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-N-(4-ethyl-1,3-thiazol-5-yl)pyrazole-4-sulfonamide?
1-(2,2-difluoroethyl)-N-(4-ethyl-1,3-thiazol-5-yl)pyrazole-4-sulfonamide has a molecular weight of 322.36 g/mol, XLogP of 1.97, 6 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-(4-ethyl-1,3-thiazol-5-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 91652668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).