4-chloro-N-[1-(3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]benzenesulfonamide

C17H22ClN3O2S — CID 24953328

IUPAC4-chloro-N-[1-(3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]benzenesulfonamide
SMILESCCc1c(C(C)NS(=O)(=O)c2ccc(Cl)cc2)nn2c1CCCC2
InChIInChI=1S/C17H22ClN3O2S/c1-3-15-16-6-4-5-11-21(16)19-17(15)12(2)20-24(22,23)14-9-7-13(18)8-10-14/h7-10,12,20H,3-6,11H2,1-2H3
InChIKeyGXYOESDDMOTMTA-UHFFFAOYSA-N
MW367.90 g/mol
LogP3.47
Rot. Bonds5

About 4-chloro-N-[1-(3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]benzenesulfonamide

4-chloro-N-[1-(3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]benzenesulfonamide (PubChem CID 24953328) has the molecular formula C17H22ClN3O2S and a molecular weight of 367.90 g/mol. Its IUPAC name is 4-chloro-N-[1-(3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[1-(3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]benzenesulfonamide
PubChem CID24953328
Molecular FormulaC17H22ClN3O2S
Molecular Weight367.90 g/mol
Exact Mass367.11
IUPAC Name4-chloro-N-[1-(3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]benzenesulfonamide
SMILESCCc1c(C(C)NS(=O)(=O)c2ccc(Cl)cc2)nn2c1CCCC2
InChIInChI=1S/C17H22ClN3O2S/c1-3-15-16-6-4-5-11-21(16)19-17(15)12(2)20-24(22,23)14-9-7-13(18)8-10-14/h7-10,12,20H,3-6,11H2,1-2H3
InChIKeyGXYOESDDMOTMTA-UHFFFAOYSA-N
XLogP3.47
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.90
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[1-(3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]benzenesulfonamide (CID 24953328) is 4-chloro-N-[1-(3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[1-(3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[1-(3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]benzenesulfonamide is CCc1c(C(C)NS(=O)(=O)c2ccc(Cl)cc2)nn2c1CCCC2.
What is the InChIKey of 4-chloro-N-[1-(3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]benzenesulfonamide?
The InChIKey is GXYOESDDMOTMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O2S/c1-3-15-16-6-4-5-11-21(16)19-17(15)12(2)20-24(22,23)14-9-7-13(18)8-10-14/h7-10,12,20H,3-6,11H2,1-2H3.
What are the key properties of 4-chloro-N-[1-(3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]benzenesulfonamide?
4-chloro-N-[1-(3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]benzenesulfonamide has a molecular weight of 367.90 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 24953328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).