1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-sulfonamide

C13H16FN3O2S — CID 6469701

IUPAC1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCCc2ccc(F)cc2)cn1
InChIInChI=1S/C13H16FN3O2S/c1-2-17-10-13(9-15-17)20(18,19)16-8-7-11-3-5-12(14)6-4-11/h3-6,9-10,16H,2,7-8H2,1H3
InChIKeyMLVNXLIURKDHGA-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.56
Rot. Bonds6

About 1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-sulfonamide

1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-sulfonamide (PubChem CID 6469701) has the molecular formula C13H16FN3O2S and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-sulfonamide
PubChem CID6469701
Molecular FormulaC13H16FN3O2S
Molecular Weight297.36 g/mol
Exact Mass297.09
IUPAC Name1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCCc2ccc(F)cc2)cn1
InChIInChI=1S/C13H16FN3O2S/c1-2-17-10-13(9-15-17)20(18,19)16-8-7-11-3-5-12(14)6-4-11/h3-6,9-10,16H,2,7-8H2,1H3
InChIKeyMLVNXLIURKDHGA-UHFFFAOYSA-N
XLogP1.56
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-sulfonamide (CID 6469701) is 1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NCCc2ccc(F)cc2)cn1.
What is the InChIKey of 1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-sulfonamide?
The InChIKey is MLVNXLIURKDHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2S/c1-2-17-10-13(9-15-17)20(18,19)16-8-7-11-3-5-12(14)6-4-11/h3-6,9-10,16H,2,7-8H2,1H3.
What are the key properties of 1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-sulfonamide?
1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-sulfonamide has a molecular weight of 297.36 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 6469701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).