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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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide
CID 120709265
1-(2,2-difluoroethyl)-N-piperidin-3-ylpyrazole-4-sulfonamide;hydrochloride
CID 120707191
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-fluoro-4-methylbenzenesulfonamide
CID 56805891
1-(2,2-difluoroethyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-sulfonamide
CID 120709011
N-[2-(aminomethyl)cyclopentyl]-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide;hydrochloride
CID 120711102
1-(2,2-difluoroethyl)-N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazole-4-sulfonamide
CID 99823671
1-(2,2-difluoroethyl)-N-pyrrolidin-3-ylpyrazole-4-sulfonamide;hydrochloride
CID 120707652
4-fluoro-N-[1-(2-methylpropyl)pyrazol-4-yl]benzenesulfonamide
CID 71991616
N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide
CID 155708719
1-(2,2-difluoroethyl)-N-ethyl-N-(4-hydroxyphenyl)pyrazole-4-sulfonamide
CID 167814311
1-(2,2-difluoroethyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-4-sulfonamide
CID 120896419
1-[3-(propan-2-ylamino)propyl]-N-(1,3-thiazol-2-yl)pyrazole-4-sulfonamide
CID 106031633

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).