(E)-2-(4-methylphenyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]ethenesulfonamide

C17H21N3O3S — CID 51088351

IUPAC(E)-2-(4-methylphenyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]ethenesulfonamide
SMILESCc1ccc(/C=C/S(=O)(=O)Nc2cnn(CC3CCCO3)c2)cc1
InChIInChI=1S/C17H21N3O3S/c1-14-4-6-15(7-5-14)8-10-24(21,22)19-16-11-18-20(12-16)13-17-3-2-9-23-17/h4-8,10-12,17,19H,2-3,9,13H2,1H3/b10-8+
InChIKeyJDYBGEFMDUUVNJ-CSKARUKUSA-N
MW347.44 g/mol
LogP2.78
Rot. Bonds6

About (E)-2-(4-methylphenyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]ethenesulfonamide

(E)-2-(4-methylphenyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]ethenesulfonamide (PubChem CID 51088351) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is (E)-2-(4-methylphenyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-(4-methylphenyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]ethenesulfonamide
PubChem CID51088351
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name(E)-2-(4-methylphenyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]ethenesulfonamide
SMILESCc1ccc(/C=C/S(=O)(=O)Nc2cnn(CC3CCCO3)c2)cc1
InChIInChI=1S/C17H21N3O3S/c1-14-4-6-15(7-5-14)8-10-24(21,22)19-16-11-18-20(12-16)13-17-3-2-9-23-17/h4-8,10-12,17,19H,2-3,9,13H2,1H3/b10-8+
InChIKeyJDYBGEFMDUUVNJ-CSKARUKUSA-N
XLogP2.78
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-methylphenyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]ethenesulfonamide?
The IUPAC name of (E)-2-(4-methylphenyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]ethenesulfonamide (CID 51088351) is (E)-2-(4-methylphenyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]ethenesulfonamide.
What is the SMILES notation for (E)-2-(4-methylphenyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]ethenesulfonamide?
The canonical SMILES for (E)-2-(4-methylphenyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]ethenesulfonamide is Cc1ccc(/C=C/S(=O)(=O)Nc2cnn(CC3CCCO3)c2)cc1.
What is the InChIKey of (E)-2-(4-methylphenyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]ethenesulfonamide?
The InChIKey is JDYBGEFMDUUVNJ-CSKARUKUSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-14-4-6-15(7-5-14)8-10-24(21,22)19-16-11-18-20(12-16)13-17-3-2-9-23-17/h4-8,10-12,17,19H,2-3,9,13H2,1H3/b10-8+.
What are the key properties of (E)-2-(4-methylphenyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]ethenesulfonamide?
(E)-2-(4-methylphenyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]ethenesulfonamide has a molecular weight of 347.44 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-methylphenyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]ethenesulfonamide is sourced from PubChem (CID 51088351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).