N-(1-ethylpyrazol-4-yl)-2,5-difluorobenzenesulfonamide

C11H11F2N3O2S — CID 31913077

IUPACN-(1-ethylpyrazol-4-yl)-2,5-difluorobenzenesulfonamide
SMILESCCn1cc(NS(=O)(=O)c2cc(F)ccc2F)cn1
InChIInChI=1S/C11H11F2N3O2S/c1-2-16-7-9(6-14-16)15-19(17,18)11-5-8(12)3-4-10(11)13/h3-7,15H,2H2,1H3
InChIKeyCAJKKXIRATUBFC-UHFFFAOYSA-N
MW287.29 g/mol
LogP1.98
Rot. Bonds4

About N-(1-ethylpyrazol-4-yl)-2,5-difluorobenzenesulfonamide

N-(1-ethylpyrazol-4-yl)-2,5-difluorobenzenesulfonamide (PubChem CID 31913077) has the molecular formula C11H11F2N3O2S and a molecular weight of 287.29 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)-2,5-difluorobenzenesulfonamide
PubChem CID31913077
Molecular FormulaC11H11F2N3O2S
Molecular Weight287.29 g/mol
Exact Mass287.05
IUPAC NameN-(1-ethylpyrazol-4-yl)-2,5-difluorobenzenesulfonamide
SMILESCCn1cc(NS(=O)(=O)c2cc(F)ccc2F)cn1
InChIInChI=1S/C11H11F2N3O2S/c1-2-16-7-9(6-14-16)15-19(17,18)11-5-8(12)3-4-10(11)13/h3-7,15H,2H2,1H3
InChIKeyCAJKKXIRATUBFC-UHFFFAOYSA-N
XLogP1.98
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-4-yl)-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-(1-ethylpyrazol-4-yl)-2,5-difluorobenzenesulfonamide (CID 31913077) is N-(1-ethylpyrazol-4-yl)-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)-2,5-difluorobenzenesulfonamide is CCn1cc(NS(=O)(=O)c2cc(F)ccc2F)cn1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)-2,5-difluorobenzenesulfonamide?
The InChIKey is CAJKKXIRATUBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O2S/c1-2-16-7-9(6-14-16)15-19(17,18)11-5-8(12)3-4-10(11)13/h3-7,15H,2H2,1H3.
What are the key properties of N-(1-ethylpyrazol-4-yl)-2,5-difluorobenzenesulfonamide?
N-(1-ethylpyrazol-4-yl)-2,5-difluorobenzenesulfonamide has a molecular weight of 287.29 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-4-yl)-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 31913077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).