4-ethoxy-N-(pyridin-2-ylmethyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide

C22H22N6O3S — CID 46891425

IUPAC4-ethoxy-N-(pyridin-2-ylmethyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)Cc2ccccn2)cc1
InChIInChI=1S/C22H22N6O3S/c1-2-31-20-10-12-21(13-11-20)32(29,30)28(16-19-5-3-4-14-23-19)15-17-6-8-18(9-7-17)22-24-26-27-25-22/h3-14H,2,15-16H2,1H3,(H,24,25,26,27)
InChIKeyFWFVZXNFBPSPRI-UHFFFAOYSA-N
MW450.52 g/mol
LogP3.05
Rot. Bonds9

About 4-ethoxy-N-(pyridin-2-ylmethyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide

4-ethoxy-N-(pyridin-2-ylmethyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide (PubChem CID 46891425) has the molecular formula C22H22N6O3S and a molecular weight of 450.52 g/mol. Its IUPAC name is 4-ethoxy-N-(pyridin-2-ylmethyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-(pyridin-2-ylmethyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide
PubChem CID46891425
Molecular FormulaC22H22N6O3S
Molecular Weight450.52 g/mol
Exact Mass450.15
IUPAC Name4-ethoxy-N-(pyridin-2-ylmethyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)Cc2ccccn2)cc1
InChIInChI=1S/C22H22N6O3S/c1-2-31-20-10-12-21(13-11-20)32(29,30)28(16-19-5-3-4-14-23-19)15-17-6-8-18(9-7-17)22-24-26-27-25-22/h3-14H,2,15-16H2,1H3,(H,24,25,26,27)
InChIKeyFWFVZXNFBPSPRI-UHFFFAOYSA-N
XLogP3.05
TPSA113.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-ethoxy-N-(pyridin-2-ylmethyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide with MolForge

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Related Compounds

N-(3-fluoro-4-(1H-tetrazol-5-yl)benzyl)-4-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 46891536
4-ethoxy-N-(1-pyridin-3-ylethylideneamino)benzenesulfonamide
CID 5021011
4-Ethoxy-N-({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-YL}methyl)benzene-1-sulfonamide
CID 16028432
N-(4-Methoxy-benzyl)-N-pyridin-2-ylmethyl-4-tetrazol-1-yl-benzenesulfonamide
CID 648846
4-[5-(4-Fluorophenyl)-2-(4-methoxyphenyl)sulfonyltriazol-4-yl]pyridine
CID 44290341
3-(6-(3-(dimethylamino)propoxy)pyridin-3-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118265876
4-ethoxy-3-fluoro-N-phenethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 52906765
N-(pyridin-2-ylmethyl)-4-(o-tolyloxy)benzenesulfonamide
CID 983974
4-ethoxy-N-[(E)-1-pyridin-3-ylethylideneamino]benzenesulfonamide
CID 9689091
3-(4-((4-Ethoxyphenyl)sulfonyl)piperazin-1-yl)-6-(pyridin-3-yl)pyridazine
CID 25283752
4-(2-{[(3S)-1-(3-Fluoro-4-methoxybenzenesulfonyl)piperidin-3-YL]methyl}-1,2,3,4-tetrazol-5-YL)pyridine
CID 92407357
4-[5-(4-Fluorophenyl)-3-(4-methoxyphenyl)sulfonyltriazol-4-yl]pyridine
CID 10158473

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(pyridin-2-ylmethyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-(pyridin-2-ylmethyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide (CID 46891425) is 4-ethoxy-N-(pyridin-2-ylmethyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-(pyridin-2-ylmethyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-(pyridin-2-ylmethyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)Cc2ccccn2)cc1.
What is the InChIKey of 4-ethoxy-N-(pyridin-2-ylmethyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide?
The InChIKey is FWFVZXNFBPSPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O3S/c1-2-31-20-10-12-21(13-11-20)32(29,30)28(16-19-5-3-4-14-23-19)15-17-6-8-18(9-7-17)22-24-26-27-25-22/h3-14H,2,15-16H2,1H3,(H,24,25,26,27).
What are the key properties of 4-ethoxy-N-(pyridin-2-ylmethyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide?
4-ethoxy-N-(pyridin-2-ylmethyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide has a molecular weight of 450.52 g/mol, XLogP of 3.05, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(pyridin-2-ylmethyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 46891425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).