3-(difluoromethyl)-1-ethylpyrazole-5-sulfonamide

C6H9F2N3O2S — CID 62890515

IUPAC3-(difluoromethyl)-1-ethylpyrazole-5-sulfonamide
SMILESCCn1nc(C(F)F)cc1S(N)(=O)=O
InChIInChI=1S/C6H9F2N3O2S/c1-2-11-5(14(9,12)13)3-4(10-11)6(7)8/h3,6H,2H2,1H3,(H2,9,12,13)
InChIKeyNIFGOWNOPCLKRO-UHFFFAOYSA-N
MW225.22 g/mol
LogP0.49
Rot. Bonds3

About 3-(difluoromethyl)-1-ethylpyrazole-5-sulfonamide

3-(difluoromethyl)-1-ethylpyrazole-5-sulfonamide (PubChem CID 62890515) has the molecular formula C6H9F2N3O2S and a molecular weight of 225.22 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-ethylpyrazole-5-sulfonamide.

Molecular Properties

Compound Name3-(difluoromethyl)-1-ethylpyrazole-5-sulfonamide
PubChem CID62890515
Molecular FormulaC6H9F2N3O2S
Molecular Weight225.22 g/mol
Exact Mass225.04
IUPAC Name3-(difluoromethyl)-1-ethylpyrazole-5-sulfonamide
SMILESCCn1nc(C(F)F)cc1S(N)(=O)=O
InChIInChI=1S/C6H9F2N3O2S/c1-2-11-5(14(9,12)13)3-4(10-11)6(7)8/h3,6H,2H2,1H3,(H2,9,12,13)
InChIKeyNIFGOWNOPCLKRO-UHFFFAOYSA-N
XLogP0.49
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-ethylpyrazole-5-sulfonamide?
The IUPAC name of 3-(difluoromethyl)-1-ethylpyrazole-5-sulfonamide (CID 62890515) is 3-(difluoromethyl)-1-ethylpyrazole-5-sulfonamide.
What is the SMILES notation for 3-(difluoromethyl)-1-ethylpyrazole-5-sulfonamide?
The canonical SMILES for 3-(difluoromethyl)-1-ethylpyrazole-5-sulfonamide is CCn1nc(C(F)F)cc1S(N)(=O)=O.
What is the InChIKey of 3-(difluoromethyl)-1-ethylpyrazole-5-sulfonamide?
The InChIKey is NIFGOWNOPCLKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N3O2S/c1-2-11-5(14(9,12)13)3-4(10-11)6(7)8/h3,6H,2H2,1H3,(H2,9,12,13).
What are the key properties of 3-(difluoromethyl)-1-ethylpyrazole-5-sulfonamide?
3-(difluoromethyl)-1-ethylpyrazole-5-sulfonamide has a molecular weight of 225.22 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-ethylpyrazole-5-sulfonamide is sourced from PubChem (CID 62890515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).