4-[benzyl(methyl)amino]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide

C14H15N7O2S — CID 118266239

IUPAC4-[benzyl(methyl)amino]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
SMILESCN(Cc1ccccc1)c1ccnc(S(N)(=O)=O)c1-c1nn[nH]n1
InChIInChI=1S/C14H15N7O2S/c1-21(9-10-5-3-2-4-6-10)11-7-8-16-14(24(15,22)23)12(11)13-17-19-20-18-13/h2-8H,9H2,1H3,(H2,15,22,23)(H,17,18,19,20)
InChIKeyJIMURVWIUYTHEW-UHFFFAOYSA-N
MW345.39 g/mol
LogP0.55
Rot. Bonds5

About 4-[benzyl(methyl)amino]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide

4-[benzyl(methyl)amino]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide (PubChem CID 118266239) has the molecular formula C14H15N7O2S and a molecular weight of 345.39 g/mol. Its IUPAC name is 4-[benzyl(methyl)amino]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name4-[benzyl(methyl)amino]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
PubChem CID118266239
Molecular FormulaC14H15N7O2S
Molecular Weight345.39 g/mol
Exact Mass345.10
IUPAC Name4-[benzyl(methyl)amino]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
SMILESCN(Cc1ccccc1)c1ccnc(S(N)(=O)=O)c1-c1nn[nH]n1
InChIInChI=1S/C14H15N7O2S/c1-21(9-10-5-3-2-4-6-10)11-7-8-16-14(24(15,22)23)12(11)13-17-19-20-18-13/h2-8H,9H2,1H3,(H2,15,22,23)(H,17,18,19,20)
InChIKeyJIMURVWIUYTHEW-UHFFFAOYSA-N
XLogP0.55
TPSA130.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(methyl)amino]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The IUPAC name of 4-[benzyl(methyl)amino]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide (CID 118266239) is 4-[benzyl(methyl)amino]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide.
What is the SMILES notation for 4-[benzyl(methyl)amino]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The canonical SMILES for 4-[benzyl(methyl)amino]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide is CN(Cc1ccccc1)c1ccnc(S(N)(=O)=O)c1-c1nn[nH]n1.
What is the InChIKey of 4-[benzyl(methyl)amino]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The InChIKey is JIMURVWIUYTHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7O2S/c1-21(9-10-5-3-2-4-6-10)11-7-8-16-14(24(15,22)23)12(11)13-17-19-20-18-13/h2-8H,9H2,1H3,(H2,15,22,23)(H,17,18,19,20).
What are the key properties of 4-[benzyl(methyl)amino]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
4-[benzyl(methyl)amino]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide has a molecular weight of 345.39 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(methyl)amino]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide is sourced from PubChem (CID 118266239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).