methyl 4-methoxy-3-[[5-(2H-tetrazol-5-yl)-2-thiophen-2-ylphenyl]sulfamoyl]benzoate

C20H17N5O5S2 — CID 155271665

IUPACmethyl 4-methoxy-3-[[5-(2H-tetrazol-5-yl)-2-thiophen-2-ylphenyl]sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(OC)c(S(=O)(=O)Nc2cc(-c3nn[nH]n3)ccc2-c2cccs2)c1
InChIInChI=1S/C20H17N5O5S2/c1-29-16-8-6-13(20(26)30-2)11-18(16)32(27,28)23-15-10-12(19-21-24-25-22-19)5-7-14(15)17-4-3-9-31-17/h3-11,23H,1-2H3,(H,21,22,24,25)
InChIKeyKIZHTRLPQGPREP-UHFFFAOYSA-N
MW471.52 g/mol
LogP3.19
Rot. Bonds7

About methyl 4-methoxy-3-[[5-(2H-tetrazol-5-yl)-2-thiophen-2-ylphenyl]sulfamoyl]benzoate

methyl 4-methoxy-3-[[5-(2H-tetrazol-5-yl)-2-thiophen-2-ylphenyl]sulfamoyl]benzoate (PubChem CID 155271665) has the molecular formula C20H17N5O5S2 and a molecular weight of 471.52 g/mol. Its IUPAC name is methyl 4-methoxy-3-[[5-(2H-tetrazol-5-yl)-2-thiophen-2-ylphenyl]sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-methoxy-3-[[5-(2H-tetrazol-5-yl)-2-thiophen-2-ylphenyl]sulfamoyl]benzoate
PubChem CID155271665
Molecular FormulaC20H17N5O5S2
Molecular Weight471.52 g/mol
Exact Mass471.07
IUPAC Namemethyl 4-methoxy-3-[[5-(2H-tetrazol-5-yl)-2-thiophen-2-ylphenyl]sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(OC)c(S(=O)(=O)Nc2cc(-c3nn[nH]n3)ccc2-c2cccs2)c1
InChIInChI=1S/C20H17N5O5S2/c1-29-16-8-6-13(20(26)30-2)11-18(16)32(27,28)23-15-10-12(19-21-24-25-22-19)5-7-14(15)17-4-3-9-31-17/h3-11,23H,1-2H3,(H,21,22,24,25)
InChIKeyKIZHTRLPQGPREP-UHFFFAOYSA-N
XLogP3.19
TPSA136.16 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.52
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze methyl 4-methoxy-3-[[5-(2H-tetrazol-5-yl)-2-thiophen-2-ylphenyl]sulfamoyl]benzoate with MolForge

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Related Compounds

methyl 4-cyclopropyl-3-[[2-thiophen-2-yl-5-(trifluoromethyl)phenyl]sulfamoyl]benzoate
CID 155718047
methyl 4-methoxy-3-[2-(5-thiophen-2-ylthiophen-2-yl)ethylsulfamoyl]benzoate
CID 155801484
2-methoxy-5-methyl-N-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 110720262
4-methoxy-3-[(4-thiophen-2-yl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid
CID 4965787
methyl 3-[[5-cyano-2-(5-cyanothiophen-2-yl)phenyl]sulfamoyl]-4-methoxybenzoate
CID 155271358
methyl 3-[[5-cyano-2-(5-fluorothiophen-2-yl)phenyl]sulfamoyl]-4-methoxybenzoate
CID 155271954
methyl 4-methoxy-3-[[2-(3-methylphenyl)-5-(trifluoromethyl)phenyl]sulfamoyl]benzoate
CID 155271434
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate
CID 41425118
methyl 3-[[5-cyano-4-fluoro-2-(3-fluorophenyl)phenyl]sulfamoyl]-4-methoxybenzoate
CID 155271363
4-ethyl-3-[(5-methylsulfonyl-2-thiophen-2-ylphenyl)sulfamoyl]benzoic acid
CID 155271684
dimethyl 2-[(4,5-dimethoxy-2-methylphenyl)sulfamoyl]benzene-1,4-dicarboxylate
CID 26949768
[2-methoxy-4-(2H-tetrazol-5-yl)phenyl] 2,2-dimethylpropanoate
CID 54573821

Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-3-[[5-(2H-tetrazol-5-yl)-2-thiophen-2-ylphenyl]sulfamoyl]benzoate?
The IUPAC name of methyl 4-methoxy-3-[[5-(2H-tetrazol-5-yl)-2-thiophen-2-ylphenyl]sulfamoyl]benzoate (CID 155271665) is methyl 4-methoxy-3-[[5-(2H-tetrazol-5-yl)-2-thiophen-2-ylphenyl]sulfamoyl]benzoate.
What is the SMILES notation for methyl 4-methoxy-3-[[5-(2H-tetrazol-5-yl)-2-thiophen-2-ylphenyl]sulfamoyl]benzoate?
The canonical SMILES for methyl 4-methoxy-3-[[5-(2H-tetrazol-5-yl)-2-thiophen-2-ylphenyl]sulfamoyl]benzoate is COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2cc(-c3nn[nH]n3)ccc2-c2cccs2)c1.
What is the InChIKey of methyl 4-methoxy-3-[[5-(2H-tetrazol-5-yl)-2-thiophen-2-ylphenyl]sulfamoyl]benzoate?
The InChIKey is KIZHTRLPQGPREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O5S2/c1-29-16-8-6-13(20(26)30-2)11-18(16)32(27,28)23-15-10-12(19-21-24-25-22-19)5-7-14(15)17-4-3-9-31-17/h3-11,23H,1-2H3,(H,21,22,24,25).
What are the key properties of methyl 4-methoxy-3-[[5-(2H-tetrazol-5-yl)-2-thiophen-2-ylphenyl]sulfamoyl]benzoate?
methyl 4-methoxy-3-[[5-(2H-tetrazol-5-yl)-2-thiophen-2-ylphenyl]sulfamoyl]benzoate has a molecular weight of 471.52 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-3-[[5-(2H-tetrazol-5-yl)-2-thiophen-2-ylphenyl]sulfamoyl]benzoate is sourced from PubChem (CID 155271665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).