2-(3-indazol-1-ylpyrrolidin-1-yl)pyridine-3-sulfonamide

C16H17N5O2S — CID 154752295

IUPAC2-(3-indazol-1-ylpyrrolidin-1-yl)pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cccnc1N1CCC(n2ncc3ccccc32)C1
InChIInChI=1S/C16H17N5O2S/c17-24(22,23)15-6-3-8-18-16(15)20-9-7-13(11-20)21-14-5-2-1-4-12(14)10-19-21/h1-6,8,10,13H,7,9,11H2,(H2,17,22,23)
InChIKeyMIWBOFFHWCORLB-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.53
Rot. Bonds3

About 2-(3-indazol-1-ylpyrrolidin-1-yl)pyridine-3-sulfonamide

2-(3-indazol-1-ylpyrrolidin-1-yl)pyridine-3-sulfonamide (PubChem CID 154752295) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-(3-indazol-1-ylpyrrolidin-1-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(3-indazol-1-ylpyrrolidin-1-yl)pyridine-3-sulfonamide
PubChem CID154752295
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC Name2-(3-indazol-1-ylpyrrolidin-1-yl)pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cccnc1N1CCC(n2ncc3ccccc32)C1
InChIInChI=1S/C16H17N5O2S/c17-24(22,23)15-6-3-8-18-16(15)20-9-7-13(11-20)21-14-5-2-1-4-12(14)10-19-21/h1-6,8,10,13H,7,9,11H2,(H2,17,22,23)
InChIKeyMIWBOFFHWCORLB-UHFFFAOYSA-N
XLogP1.53
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-indazol-1-ylpyrrolidin-1-yl)pyridine-3-sulfonamide?
The IUPAC name of 2-(3-indazol-1-ylpyrrolidin-1-yl)pyridine-3-sulfonamide (CID 154752295) is 2-(3-indazol-1-ylpyrrolidin-1-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-(3-indazol-1-ylpyrrolidin-1-yl)pyridine-3-sulfonamide?
The canonical SMILES for 2-(3-indazol-1-ylpyrrolidin-1-yl)pyridine-3-sulfonamide is NS(=O)(=O)c1cccnc1N1CCC(n2ncc3ccccc32)C1.
What is the InChIKey of 2-(3-indazol-1-ylpyrrolidin-1-yl)pyridine-3-sulfonamide?
The InChIKey is MIWBOFFHWCORLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c17-24(22,23)15-6-3-8-18-16(15)20-9-7-13(11-20)21-14-5-2-1-4-12(14)10-19-21/h1-6,8,10,13H,7,9,11H2,(H2,17,22,23).
What are the key properties of 2-(3-indazol-1-ylpyrrolidin-1-yl)pyridine-3-sulfonamide?
2-(3-indazol-1-ylpyrrolidin-1-yl)pyridine-3-sulfonamide has a molecular weight of 343.41 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-indazol-1-ylpyrrolidin-1-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 154752295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).