2-[1-[(2-chloro-6-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylacetic acid

C11H11ClN4O3S — CID 103293100

IUPAC2-[1-[(2-chloro-6-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylacetic acid
SMILESCOc1cccc(Cl)c1Cn1nnnc1SCC(=O)O
InChIInChI=1S/C11H11ClN4O3S/c1-19-9-4-2-3-8(12)7(9)5-16-11(13-14-15-16)20-6-10(17)18/h2-4H,5-6H2,1H3,(H,17,18)
InChIKeyODYIYGXCHXRAJT-UHFFFAOYSA-N
MW314.75 g/mol
LogP1.56
Rot. Bonds6

About 2-[1-[(2-chloro-6-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylacetic acid

2-[1-[(2-chloro-6-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylacetic acid (PubChem CID 103293100) has the molecular formula C11H11ClN4O3S and a molecular weight of 314.75 g/mol. Its IUPAC name is 2-[1-[(2-chloro-6-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[1-[(2-chloro-6-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylacetic acid
PubChem CID103293100
Molecular FormulaC11H11ClN4O3S
Molecular Weight314.75 g/mol
Exact Mass314.02
IUPAC Name2-[1-[(2-chloro-6-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylacetic acid
SMILESCOc1cccc(Cl)c1Cn1nnnc1SCC(=O)O
InChIInChI=1S/C11H11ClN4O3S/c1-19-9-4-2-3-8(12)7(9)5-16-11(13-14-15-16)20-6-10(17)18/h2-4H,5-6H2,1H3,(H,17,18)
InChIKeyODYIYGXCHXRAJT-UHFFFAOYSA-N
XLogP1.56
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.75
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-[(2-chloro-6-methoxyphenyl)methyl]-5-methylimidazol-2-yl]sulfanylacetic acid
CID 103293179
2-(1-benzyltetrazol-5-yl)sulfanylacetic acid
CID 10800661
1-[1-[(2-chloro-6-methoxyphenyl)methyl]tetrazol-5-yl]-N-methylethanamine
CID 103293419
2-[1-(3-chloro-4-methoxyphenyl)tetrazol-5-yl]sulfanylacetic acid
CID 29070392
2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 51259319
2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide
CID 24523120
2-(1-benzyltetrazol-5-yl)sulfanyl-1-(2,4-dimethoxyphenyl)ethanone
CID 18099111
2-(1-benzyltetrazol-5-yl)sulfanyl-N-(3-methoxyphenyl)acetamide
CID 27135863
2-(1-benzyltetrazol-5-yl)sulfanylacetamide
CID 893684
2-[1-[(2-chloro-6-methoxyphenyl)methyl]azetidin-3-yl]acetic acid
CID 104818988
3-[4-[(2-chloro-6-methoxyphenyl)methyl]piperazin-1-yl]propanoic acid
CID 104818946
2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetic acid
CID 1132766

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-chloro-6-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylacetic acid?
The IUPAC name of 2-[1-[(2-chloro-6-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylacetic acid (CID 103293100) is 2-[1-[(2-chloro-6-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[1-[(2-chloro-6-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylacetic acid?
The canonical SMILES for 2-[1-[(2-chloro-6-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylacetic acid is COc1cccc(Cl)c1Cn1nnnc1SCC(=O)O.
What is the InChIKey of 2-[1-[(2-chloro-6-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylacetic acid?
The InChIKey is ODYIYGXCHXRAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O3S/c1-19-9-4-2-3-8(12)7(9)5-16-11(13-14-15-16)20-6-10(17)18/h2-4H,5-6H2,1H3,(H,17,18).
What are the key properties of 2-[1-[(2-chloro-6-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylacetic acid?
2-[1-[(2-chloro-6-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylacetic acid has a molecular weight of 314.75 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-chloro-6-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylacetic acid is sourced from PubChem (CID 103293100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).