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

C17H18N6O2S — CID 122694196

IUPAC2-methylsulfonyl-4-(4-pyrrolidin-3-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine
SMILESCS(=O)(=O)c1nccc(-c2ccc(C3CCNC3)cc2)c1-c1nn[nH]n1
InChIInChI=1S/C17H18N6O2S/c1-26(24,25)17-15(16-20-22-23-21-16)14(7-9-19-17)12-4-2-11(3-5-12)13-6-8-18-10-13/h2-5,7,9,13,18H,6,8,10H2,1H3,(H,20,21,22,23)
InChIKeyQEFALXMYKOVKGG-UHFFFAOYSA-N
MW370.44 g/mol
LogP1.41
Rot. Bonds4

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

2-methylsulfonyl-4-(4-pyrrolidin-3-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine (PubChem CID 122694196) has the molecular formula C17H18N6O2S and a molecular weight of 370.44 g/mol. Its IUPAC name is 2-methylsulfonyl-4-(4-pyrrolidin-3-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine.

Molecular Properties

Compound Name2-methylsulfonyl-4-(4-pyrrolidin-3-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine
PubChem CID122694196
Molecular FormulaC17H18N6O2S
Molecular Weight370.44 g/mol
Exact Mass370.12
IUPAC Name2-methylsulfonyl-4-(4-pyrrolidin-3-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine
SMILESCS(=O)(=O)c1nccc(-c2ccc(C3CCNC3)cc2)c1-c1nn[nH]n1
InChIInChI=1S/C17H18N6O2S/c1-26(24,25)17-15(16-20-22-23-21-16)14(7-9-19-17)12-4-2-11(3-5-12)13-6-8-18-10-13/h2-5,7,9,13,18H,6,8,10H2,1H3,(H,20,21,22,23)
InChIKeyQEFALXMYKOVKGG-UHFFFAOYSA-N
XLogP1.41
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

CID 118265917
CID 118265917
3-(1H-Tetrazol-5-yl)-4-(p-tolyl)pyridine-2-sulfonamide
CID 118256913
4-[(2-cyclohexylethyl)amino]-3-(1H-tetrazol-5-yl)pyridine-2-sulfonamide
CID 118266120
4-(4-(pyrrolidin-3-yl)phenyl)-3-(1H-tetrazol-5-yl)pyridine-2-sulfonamide
CID 134823557
2-cyclobutylsulfanyl-3-[4-[3-(2H-tetrazol-5-yl)propyl]phenyl]pyridine
CID 121447298
5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-3-(trifluoromethyl)-1H-isoindole
CID 158302299
4-(4-pyrrolidin-3-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
CID 118265337
4-(4-piperidin-4-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
CID 118265341
4-[4-(methanesulfonamido)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
CID 118265911
4-(2-methylphenyl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
CID 118265913
4-(2-phenylethylamino)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
CID 118266122
3-(6-methylsulfonyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266177

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-4-(4-pyrrolidin-3-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine?
The IUPAC name of 2-methylsulfonyl-4-(4-pyrrolidin-3-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine (CID 122694196) is 2-methylsulfonyl-4-(4-pyrrolidin-3-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine.
What is the SMILES notation for 2-methylsulfonyl-4-(4-pyrrolidin-3-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine?
The canonical SMILES for 2-methylsulfonyl-4-(4-pyrrolidin-3-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine is CS(=O)(=O)c1nccc(-c2ccc(C3CCNC3)cc2)c1-c1nn[nH]n1.
What is the InChIKey of 2-methylsulfonyl-4-(4-pyrrolidin-3-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine?
The InChIKey is QEFALXMYKOVKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2S/c1-26(24,25)17-15(16-20-22-23-21-16)14(7-9-19-17)12-4-2-11(3-5-12)13-6-8-18-10-13/h2-5,7,9,13,18H,6,8,10H2,1H3,(H,20,21,22,23).
What are the key properties of 2-methylsulfonyl-4-(4-pyrrolidin-3-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine?
2-methylsulfonyl-4-(4-pyrrolidin-3-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine has a molecular weight of 370.44 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-4-(4-pyrrolidin-3-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine is sourced from PubChem (CID 122694196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).