methyl 2-methoxy-5-(5-methylsulfonyltetrazol-1-yl)benzoate

C11H12N4O5S — CID 18464688

IUPACmethyl 2-methoxy-5-(5-methylsulfonyltetrazol-1-yl)benzoate
SMILESCOC(=O)c1cc(-n2nnnc2S(C)(=O)=O)ccc1OC
InChIInChI=1S/C11H12N4O5S/c1-19-9-5-4-7(6-8(9)10(16)20-2)15-11(12-13-14-15)21(3,17)18/h4-6H,1-3H3
InChIKeyMRTQRWULEWWTRJ-UHFFFAOYSA-N
MW312.31 g/mol
LogP-0.14
Rot. Bonds4

About methyl 2-methoxy-5-(5-methylsulfonyltetrazol-1-yl)benzoate

methyl 2-methoxy-5-(5-methylsulfonyltetrazol-1-yl)benzoate (PubChem CID 18464688) has the molecular formula C11H12N4O5S and a molecular weight of 312.31 g/mol. Its IUPAC name is methyl 2-methoxy-5-(5-methylsulfonyltetrazol-1-yl)benzoate.

Molecular Properties

Compound Namemethyl 2-methoxy-5-(5-methylsulfonyltetrazol-1-yl)benzoate
PubChem CID18464688
Molecular FormulaC11H12N4O5S
Molecular Weight312.31 g/mol
Exact Mass312.05
IUPAC Namemethyl 2-methoxy-5-(5-methylsulfonyltetrazol-1-yl)benzoate
SMILESCOC(=O)c1cc(-n2nnnc2S(C)(=O)=O)ccc1OC
InChIInChI=1S/C11H12N4O5S/c1-19-9-5-4-7(6-8(9)10(16)20-2)15-11(12-13-14-15)21(3,17)18/h4-6H,1-3H3
InChIKeyMRTQRWULEWWTRJ-UHFFFAOYSA-N
XLogP-0.14
TPSA113.27 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.31
LogP ≤ 5-0.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

methyl 2-methoxy-5-(5-methylsulfanyltetrazol-1-yl)benzoate
CID 18464638
methyl 2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]benzoate
CID 18464579
dimethyl 4-(1-phenyltetrazol-5-yl)oxybenzene-1,3-dicarboxylate
CID 4969452
methyl 2-methoxy-5-(4-methylpiperazin-1-yl)benzoate
CID 176816359
methyl 5-chlorosulfonyl-2-methoxybenzoate
CID 43436733
methyl 2-methoxy-5-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoate
CID 86583905
N-[[2-methoxy-5-(5-methylsulfonyltetrazol-1-yl)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 22106506
methyl 5-(methanesulfonamidomethyl)-2-methoxybenzoate
CID 51179291
4-(5-ethyltetrazol-1-yl)-2-methoxybenzoic acid
CID 107209131
1-(2,5-dimethoxyphenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylethanone
CID 649108
ethane;methyl 2-methoxy-5-(4-methylphenyl)benzoate
CID 143170462
methyl 4-[5-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoate
CID 1175411

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-5-(5-methylsulfonyltetrazol-1-yl)benzoate?
The IUPAC name of methyl 2-methoxy-5-(5-methylsulfonyltetrazol-1-yl)benzoate (CID 18464688) is methyl 2-methoxy-5-(5-methylsulfonyltetrazol-1-yl)benzoate.
What is the SMILES notation for methyl 2-methoxy-5-(5-methylsulfonyltetrazol-1-yl)benzoate?
The canonical SMILES for methyl 2-methoxy-5-(5-methylsulfonyltetrazol-1-yl)benzoate is COC(=O)c1cc(-n2nnnc2S(C)(=O)=O)ccc1OC.
What is the InChIKey of methyl 2-methoxy-5-(5-methylsulfonyltetrazol-1-yl)benzoate?
The InChIKey is MRTQRWULEWWTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O5S/c1-19-9-5-4-7(6-8(9)10(16)20-2)15-11(12-13-14-15)21(3,17)18/h4-6H,1-3H3.
What are the key properties of methyl 2-methoxy-5-(5-methylsulfonyltetrazol-1-yl)benzoate?
methyl 2-methoxy-5-(5-methylsulfonyltetrazol-1-yl)benzoate has a molecular weight of 312.31 g/mol, XLogP of -0.14, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-5-(5-methylsulfonyltetrazol-1-yl)benzoate is sourced from PubChem (CID 18464688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).