(E)-2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)ethenesulfonamide

C16H19N3O2S — CID 91629712

IUPAC(E)-2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)ethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccccc1)NCc1cnn2c1CCCC2
InChIInChI=1S/C16H19N3O2S/c20-22(21,11-9-14-6-2-1-3-7-14)18-13-15-12-17-19-10-5-4-8-16(15)19/h1-3,6-7,9,11-12,18H,4-5,8,10,13H2/b11-9+
InChIKeyYRROWLHQMDUDRT-PKNBQFBNSA-N
MW317.41 g/mol
LogP2.31
Rot. Bonds5

About (E)-2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)ethenesulfonamide

(E)-2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)ethenesulfonamide (PubChem CID 91629712) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is (E)-2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)ethenesulfonamide
PubChem CID91629712
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name(E)-2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)ethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccccc1)NCc1cnn2c1CCCC2
InChIInChI=1S/C16H19N3O2S/c20-22(21,11-9-14-6-2-1-3-7-14)18-13-15-12-17-19-10-5-4-8-16(15)19/h1-3,6-7,9,11-12,18H,4-5,8,10,13H2/b11-9+
InChIKeyYRROWLHQMDUDRT-PKNBQFBNSA-N
XLogP2.31
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (E)-2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)ethenesulfonamide?
The IUPAC name of (E)-2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)ethenesulfonamide (CID 91629712) is (E)-2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)ethenesulfonamide.
What is the SMILES notation for (E)-2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)ethenesulfonamide?
The canonical SMILES for (E)-2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)ethenesulfonamide is O=S(=O)(/C=C/c1ccccc1)NCc1cnn2c1CCCC2.
What is the InChIKey of (E)-2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)ethenesulfonamide?
The InChIKey is YRROWLHQMDUDRT-PKNBQFBNSA-N. The full InChI is InChI=1S/C16H19N3O2S/c20-22(21,11-9-14-6-2-1-3-7-14)18-13-15-12-17-19-10-5-4-8-16(15)19/h1-3,6-7,9,11-12,18H,4-5,8,10,13H2/b11-9+.
What are the key properties of (E)-2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)ethenesulfonamide?
(E)-2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)ethenesulfonamide has a molecular weight of 317.41 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)ethenesulfonamide is sourced from PubChem (CID 91629712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).