1-ethyl-N-(2-phenylethyl)pyrazole-4-sulfonamide

C13H17N3O2S — CID 6464964

IUPAC1-ethyl-N-(2-phenylethyl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCCc2ccccc2)cn1
InChIInChI=1S/C13H17N3O2S/c1-2-16-11-13(10-14-16)19(17,18)15-9-8-12-6-4-3-5-7-12/h3-7,10-11,15H,2,8-9H2,1H3
InChIKeyHXGYZIWTMKODIF-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.42
Rot. Bonds6

About 1-ethyl-N-(2-phenylethyl)pyrazole-4-sulfonamide

1-ethyl-N-(2-phenylethyl)pyrazole-4-sulfonamide (PubChem CID 6464964) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 1-ethyl-N-(2-phenylethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-(2-phenylethyl)pyrazole-4-sulfonamide
PubChem CID6464964
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name1-ethyl-N-(2-phenylethyl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCCc2ccccc2)cn1
InChIInChI=1S/C13H17N3O2S/c1-2-16-11-13(10-14-16)19(17,18)15-9-8-12-6-4-3-5-7-12/h3-7,10-11,15H,2,8-9H2,1H3
InChIKeyHXGYZIWTMKODIF-UHFFFAOYSA-N
XLogP1.42
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.42
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-phenylethyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-(2-phenylethyl)pyrazole-4-sulfonamide (CID 6464964) is 1-ethyl-N-(2-phenylethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-(2-phenylethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-(2-phenylethyl)pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NCCc2ccccc2)cn1.
What is the InChIKey of 1-ethyl-N-(2-phenylethyl)pyrazole-4-sulfonamide?
The InChIKey is HXGYZIWTMKODIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-2-16-11-13(10-14-16)19(17,18)15-9-8-12-6-4-3-5-7-12/h3-7,10-11,15H,2,8-9H2,1H3.
What are the key properties of 1-ethyl-N-(2-phenylethyl)pyrazole-4-sulfonamide?
1-ethyl-N-(2-phenylethyl)pyrazole-4-sulfonamide has a molecular weight of 279.37 g/mol, XLogP of 1.42, 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-phenylethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 6464964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).