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

C16H17N7O2S — CID 118265337

IUPAC4-(4-pyrrolidin-3-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1nccc(-c2ccc(C3CCNC3)cc2)c1-c1nn[nH]n1
InChIInChI=1S/C16H17N7O2S/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/h1-4,6,8,12,18H,5,7,9H2,(H2,17,24,25)(H,20,21,22,23)
InChIKeyLOBSOOFRNJUBAD-UHFFFAOYSA-N
MW371.43 g/mol
LogP0.65
Rot. Bonds4

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

4-(4-pyrrolidin-3-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide (PubChem CID 118265337) has the molecular formula C16H17N7O2S and a molecular weight of 371.43 g/mol. Its IUPAC name is 4-(4-pyrrolidin-3-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name4-(4-pyrrolidin-3-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
PubChem CID118265337
Molecular FormulaC16H17N7O2S
Molecular Weight371.43 g/mol
Exact Mass371.12
IUPAC Name4-(4-pyrrolidin-3-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1nccc(-c2ccc(C3CCNC3)cc2)c1-c1nn[nH]n1
InChIInChI=1S/C16H17N7O2S/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/h1-4,6,8,12,18H,5,7,9H2,(H2,17,24,25)(H,20,21,22,23)
InChIKeyLOBSOOFRNJUBAD-UHFFFAOYSA-N
XLogP0.65
TPSA139.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-pyridin-3-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266627
4-Chloro-N-(2-{4-[(E)-1-pyridin-3-yl-5-(1H-tetrazol-5-yl)-pent-1-enyl]-phenyl}-ethyl)-benzenesulfonamide
CID 10458951
2-methyl-N-[[4-(2-pyrrolidin-1-ylsulfonyl-3-pyridinyl)phenyl]methyl]propan-1-amine
CID 53465638
3-(6-amino-3-pyridyl)-6-(4-piperidylmethyl)-2-(1H-tetrazol-5-yl)benzenesulfonamide
CID 118266264
6-(((1r,4r)-4-(aminomethyl)cyclohexyl)methyl)-3-(6-aminopyridin-3-yl)-2-(1H-tetrazol-5-yl)benzenesulfonamide
CID 118266269
US10221163, Example 491
CID 135311092
US10221163, Example 484
CID 135311095
CID 118265917
CID 118265917
N-ethyl-4-[2-(4-pyridylmethyl)tetrazol-5-yl]benzenesulfonamide
CID 137499753
4-(2-Sulfamoyl-3-(1H-tetrazol-5-yl)pyridin-4-yl)benzamide
CID 118256777
3-(1H-Tetrazol-5-yl)-4-(p-tolyl)pyridine-2-sulfonamide
CID 118256913
4-(4-(Tetrahydro-2H-pyran-4-yl)phenyl)-3-(1H-tetrazol-5-yl)pyridine-2-sulfonamide
CID 118257383

Frequently Asked Questions

What is the IUPAC name of 4-(4-pyrrolidin-3-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The IUPAC name of 4-(4-pyrrolidin-3-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide (CID 118265337) is 4-(4-pyrrolidin-3-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide.
What is the SMILES notation for 4-(4-pyrrolidin-3-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The canonical SMILES for 4-(4-pyrrolidin-3-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide is NS(=O)(=O)c1nccc(-c2ccc(C3CCNC3)cc2)c1-c1nn[nH]n1.
What is the InChIKey of 4-(4-pyrrolidin-3-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The InChIKey is LOBSOOFRNJUBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O2S/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/h1-4,6,8,12,18H,5,7,9H2,(H2,17,24,25)(H,20,21,22,23).
What are the key properties of 4-(4-pyrrolidin-3-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
4-(4-pyrrolidin-3-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide has a molecular weight of 371.43 g/mol, XLogP of 0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pyrrolidin-3-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide is sourced from PubChem (CID 118265337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).