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

C15H18ClN3O2S — CID 91629714

IUPAC3-chloro-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NCc1cnn2c1CCCC2
InChIInChI=1S/C15H18ClN3O2S/c1-11-13(16)5-4-7-15(11)22(20,21)18-10-12-9-17-19-8-3-2-6-14(12)19/h4-5,7,9,18H,2-3,6,8,10H2,1H3
InChIKeyYPUMFPQBZZTXBR-UHFFFAOYSA-N
MW339.85 g/mol
LogP2.66
Rot. Bonds4

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

3-chloro-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 91629714) has the molecular formula C15H18ClN3O2S and a molecular weight of 339.85 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID91629714
Molecular FormulaC15H18ClN3O2S
Molecular Weight339.85 g/mol
Exact Mass339.08
IUPAC Name3-chloro-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NCc1cnn2c1CCCC2
InChIInChI=1S/C15H18ClN3O2S/c1-11-13(16)5-4-7-15(11)22(20,21)18-10-12-9-17-19-8-3-2-6-14(12)19/h4-5,7,9,18H,2-3,6,8,10H2,1H3
InChIKeyYPUMFPQBZZTXBR-UHFFFAOYSA-N
XLogP2.66
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)benzenesulfonamide (CID 91629714) is 3-chloro-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)benzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)NCc1cnn2c1CCCC2.
What is the InChIKey of 3-chloro-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is YPUMFPQBZZTXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2S/c1-11-13(16)5-4-7-15(11)22(20,21)18-10-12-9-17-19-8-3-2-6-14(12)19/h4-5,7,9,18H,2-3,6,8,10H2,1H3.
What are the key properties of 3-chloro-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)benzenesulfonamide?
3-chloro-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 339.85 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 91629714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).