N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]pyridine-3-sulfonamide

C17H18N4O2S2 — CID 86266327

IUPACN-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCCn1nc(-c2ccsc2)cc1C1CC1)c1cccnc1
InChIInChI=1S/C17H18N4O2S2/c22-25(23,15-2-1-6-18-11-15)19-7-8-21-17(13-3-4-13)10-16(20-21)14-5-9-24-12-14/h1-2,5-6,9-13,19H,3-4,7-8H2
InChIKeyAZZLVAOYWJPOKJ-UHFFFAOYSA-N
MW374.49 g/mol
LogP2.86
Rot. Bonds7

About N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]pyridine-3-sulfonamide

N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]pyridine-3-sulfonamide (PubChem CID 86266327) has the molecular formula C17H18N4O2S2 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]pyridine-3-sulfonamide
PubChem CID86266327
Molecular FormulaC17H18N4O2S2
Molecular Weight374.49 g/mol
Exact Mass374.09
IUPAC NameN-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCCn1nc(-c2ccsc2)cc1C1CC1)c1cccnc1
InChIInChI=1S/C17H18N4O2S2/c22-25(23,15-2-1-6-18-11-15)19-7-8-21-17(13-3-4-13)10-16(20-21)14-5-9-24-12-14/h1-2,5-6,9-13,19H,3-4,7-8H2
InChIKeyAZZLVAOYWJPOKJ-UHFFFAOYSA-N
XLogP2.86
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]pyridine-3-sulfonamide (CID 86266327) is N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]pyridine-3-sulfonamide is O=S(=O)(NCCn1nc(-c2ccsc2)cc1C1CC1)c1cccnc1.
What is the InChIKey of N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]pyridine-3-sulfonamide?
The InChIKey is AZZLVAOYWJPOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S2/c22-25(23,15-2-1-6-18-11-15)19-7-8-21-17(13-3-4-13)10-16(20-21)14-5-9-24-12-14/h1-2,5-6,9-13,19H,3-4,7-8H2.
What are the key properties of N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]pyridine-3-sulfonamide?
N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]pyridine-3-sulfonamide has a molecular weight of 374.49 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 86266327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).