methyl 4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzoate

C14H12N6O4S — CID 118257202

IUPACmethyl 4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzoate
SMILESCOC(=O)c1ccc(-c2ccnc(S(N)(=O)=O)c2-c2nn[nH]n2)cc1
InChIInChI=1S/C14H12N6O4S/c1-24-14(21)9-4-2-8(3-5-9)10-6-7-16-13(25(15,22)23)11(10)12-17-19-20-18-12/h2-7H,1H3,(H2,15,22,23)(H,17,18,19,20)
InChIKeyFVNSWQDCPIYBIH-UHFFFAOYSA-N
MW360.36 g/mol
LogP0.36
Rot. Bonds4

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

methyl 4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzoate (PubChem CID 118257202) has the molecular formula C14H12N6O4S and a molecular weight of 360.36 g/mol. Its IUPAC name is methyl 4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzoate
PubChem CID118257202
Molecular FormulaC14H12N6O4S
Molecular Weight360.36 g/mol
Exact Mass360.06
IUPAC Namemethyl 4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzoate
SMILESCOC(=O)c1ccc(-c2ccnc(S(N)(=O)=O)c2-c2nn[nH]n2)cc1
InChIInChI=1S/C14H12N6O4S/c1-24-14(21)9-4-2-8(3-5-9)10-6-7-16-13(25(15,22)23)11(10)12-17-19-20-18-12/h2-7H,1H3,(H2,15,22,23)(H,17,18,19,20)
InChIKeyFVNSWQDCPIYBIH-UHFFFAOYSA-N
XLogP0.36
TPSA153.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(3P)-4-[4-(hydroxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
CID 118257356
4-(2-Sulfamoyl-3-(1H-tetrazol-5-yl)pyridin-4-yl)benzamide
CID 118256777
4-(2-Sulfamoyl-3-(1H-tetrazol-5-yl)pyridin-4-yl)benzamide and 4-(2-Sulfamoyl-3-(1H-tetrazol-5-yl)pyridin-4-yl)benzoic acid
CID 134823555
methyl 3-[3,5-dimethyl-4-[(E)-2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenyl]benzoate
CID 164627846
Ethyl 4-(2-piperidin-1-ylsulfonyl-3-pyridinyl)benzoate
CID 146169223
methyl 4-{[5-(pyridin-4-yl)-2H-tetrazol-2-yl]methyl}benzoate
CID 5306687
(Pyridin-3-yl)methyl 4-(2H-tetrazol-5-yl)benzoate
CID 23540958
4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzoic acid
CID 118257163
3-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide
CID 118266593
methyl 4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzoate
CID 122694144
4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzoic acid
CID 122694156
methyl 4-[3-(2H-tetrazol-5-yl)-2-(2-trimethylsilylethylsulfanyl)-4-pyridinyl]benzoate
CID 140751873

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzoate?
The IUPAC name of methyl 4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzoate (CID 118257202) is methyl 4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzoate.
What is the SMILES notation for methyl 4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzoate?
The canonical SMILES for methyl 4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzoate is COC(=O)c1ccc(-c2ccnc(S(N)(=O)=O)c2-c2nn[nH]n2)cc1.
What is the InChIKey of methyl 4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzoate?
The InChIKey is FVNSWQDCPIYBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O4S/c1-24-14(21)9-4-2-8(3-5-9)10-6-7-16-13(25(15,22)23)11(10)12-17-19-20-18-12/h2-7H,1H3,(H2,15,22,23)(H,17,18,19,20).
What are the key properties of methyl 4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzoate?
methyl 4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzoate has a molecular weight of 360.36 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzoate is sourced from PubChem (CID 118257202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).