5-chloro-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-methylthiophene-2-sulfonamide

C10H10ClF2N3O2S2 — CID 91651933

IUPAC5-chloro-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cnn(CC(F)F)c2)sc1Cl
InChIInChI=1S/C10H10ClF2N3O2S2/c1-6-2-9(19-10(6)11)20(17,18)15-7-3-14-16(4-7)5-8(12)13/h2-4,8,15H,5H2,1H3
InChIKeyQYUDJSUDDDRPNE-UHFFFAOYSA-N
MW341.79 g/mol
LogP2.97
Rot. Bonds5

About 5-chloro-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-methylthiophene-2-sulfonamide

5-chloro-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-methylthiophene-2-sulfonamide (PubChem CID 91651933) has the molecular formula C10H10ClF2N3O2S2 and a molecular weight of 341.79 g/mol. Its IUPAC name is 5-chloro-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-methylthiophene-2-sulfonamide
PubChem CID91651933
Molecular FormulaC10H10ClF2N3O2S2
Molecular Weight341.79 g/mol
Exact Mass340.99
IUPAC Name5-chloro-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cnn(CC(F)F)c2)sc1Cl
InChIInChI=1S/C10H10ClF2N3O2S2/c1-6-2-9(19-10(6)11)20(17,18)15-7-3-14-16(4-7)5-8(12)13/h2-4,8,15H,5H2,1H3
InChIKeyQYUDJSUDDDRPNE-UHFFFAOYSA-N
XLogP2.97
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-methylthiophene-2-sulfonamide (CID 91651933) is 5-chloro-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-methylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)Nc2cnn(CC(F)F)c2)sc1Cl.
What is the InChIKey of 5-chloro-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-methylthiophene-2-sulfonamide?
The InChIKey is QYUDJSUDDDRPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2N3O2S2/c1-6-2-9(19-10(6)11)20(17,18)15-7-3-14-16(4-7)5-8(12)13/h2-4,8,15H,5H2,1H3.
What are the key properties of 5-chloro-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-methylthiophene-2-sulfonamide?
5-chloro-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-methylthiophene-2-sulfonamide has a molecular weight of 341.79 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 91651933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).