4-(4-pyrrolidin-3-ylphenyl)-3-(tetrazolidin-5-yl)pyridine-2-sulfonamide

C16H21N7O2S — CID 134823557

IUPAC4-(4-pyrrolidin-3-ylphenyl)-3-(tetrazolidin-5-yl)pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1nccc(-c2ccc(C3CCNC3)cc2)c1C1NNNN1
InChIInChI=1S/C16H21N7O2S/c17-26(24,25)16-14(15-20-22-23-21-15)13(6-8-19-16)11-3-1-10(2-4-11)12-5-7-18-9-12/h1-4,6,8,12,15,18,20-23H,5,7,9H2,(H2,17,24,25)
InChIKeyCGQPBZADEBOBJO-UHFFFAOYSA-N
MW375.46 g/mol
LogP-0.41
Rot. Bonds4

About 4-(4-pyrrolidin-3-ylphenyl)-3-(tetrazolidin-5-yl)pyridine-2-sulfonamide

4-(4-pyrrolidin-3-ylphenyl)-3-(tetrazolidin-5-yl)pyridine-2-sulfonamide (PubChem CID 134823557) has the molecular formula C16H21N7O2S and a molecular weight of 375.46 g/mol. Its IUPAC name is 4-(4-pyrrolidin-3-ylphenyl)-3-(tetrazolidin-5-yl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name4-(4-pyrrolidin-3-ylphenyl)-3-(tetrazolidin-5-yl)pyridine-2-sulfonamide
PubChem CID134823557
Molecular FormulaC16H21N7O2S
Molecular Weight375.46 g/mol
Exact Mass375.15
IUPAC Name4-(4-pyrrolidin-3-ylphenyl)-3-(tetrazolidin-5-yl)pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1nccc(-c2ccc(C3CCNC3)cc2)c1C1NNNN1
InChIInChI=1S/C16H21N7O2S/c17-26(24,25)16-14(15-20-22-23-21-15)13(6-8-19-16)11-3-1-10(2-4-11)12-5-7-18-9-12/h1-4,6,8,12,15,18,20-23H,5,7,9H2,(H2,17,24,25)
InChIKeyCGQPBZADEBOBJO-UHFFFAOYSA-N
XLogP-0.41
TPSA133.20 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.46
LogP ≤ 5-0.41
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(4-pyrrolidin-3-ylphenyl)-3-(tetrazolidin-5-yl)pyridine-2-sulfonamide?
The IUPAC name of 4-(4-pyrrolidin-3-ylphenyl)-3-(tetrazolidin-5-yl)pyridine-2-sulfonamide (CID 134823557) is 4-(4-pyrrolidin-3-ylphenyl)-3-(tetrazolidin-5-yl)pyridine-2-sulfonamide.
What is the SMILES notation for 4-(4-pyrrolidin-3-ylphenyl)-3-(tetrazolidin-5-yl)pyridine-2-sulfonamide?
The canonical SMILES for 4-(4-pyrrolidin-3-ylphenyl)-3-(tetrazolidin-5-yl)pyridine-2-sulfonamide is NS(=O)(=O)c1nccc(-c2ccc(C3CCNC3)cc2)c1C1NNNN1.
What is the InChIKey of 4-(4-pyrrolidin-3-ylphenyl)-3-(tetrazolidin-5-yl)pyridine-2-sulfonamide?
The InChIKey is CGQPBZADEBOBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O2S/c17-26(24,25)16-14(15-20-22-23-21-15)13(6-8-19-16)11-3-1-10(2-4-11)12-5-7-18-9-12/h1-4,6,8,12,15,18,20-23H,5,7,9H2,(H2,17,24,25).
What are the key properties of 4-(4-pyrrolidin-3-ylphenyl)-3-(tetrazolidin-5-yl)pyridine-2-sulfonamide?
4-(4-pyrrolidin-3-ylphenyl)-3-(tetrazolidin-5-yl)pyridine-2-sulfonamide has a molecular weight of 375.46 g/mol, XLogP of -0.41, 4 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pyrrolidin-3-ylphenyl)-3-(tetrazolidin-5-yl)pyridine-2-sulfonamide is sourced from PubChem (CID 134823557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).