3-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]sulfonylbenzoic acid

C15H19N5O6S — CID 155497759

IUPAC3-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]sulfonylbenzoic acid
SMILESCOCCn1nnc(C2CN(S(=O)(=O)c3cccc(C(=O)O)c3)CCO2)n1
InChIInChI=1S/C15H19N5O6S/c1-25-7-6-20-17-14(16-18-20)13-10-19(5-8-26-13)27(23,24)12-4-2-3-11(9-12)15(21)22/h2-4,9,13H,5-8,10H2,1H3,(H,21,22)
InChIKeySZKYYWOXMBLRSM-UHFFFAOYSA-N
MW397.41 g/mol
LogP-0.22
Rot. Bonds7

About 3-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]sulfonylbenzoic acid

3-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]sulfonylbenzoic acid (PubChem CID 155497759) has the molecular formula C15H19N5O6S and a molecular weight of 397.41 g/mol. Its IUPAC name is 3-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]sulfonylbenzoic acid.

Molecular Properties

Compound Name3-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]sulfonylbenzoic acid
PubChem CID155497759
Molecular FormulaC15H19N5O6S
Molecular Weight397.41 g/mol
Exact Mass397.11
IUPAC Name3-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]sulfonylbenzoic acid
SMILESCOCCn1nnc(C2CN(S(=O)(=O)c3cccc(C(=O)O)c3)CCO2)n1
InChIInChI=1S/C15H19N5O6S/c1-25-7-6-20-17-14(16-18-20)13-10-19(5-8-26-13)27(23,24)12-4-2-3-11(9-12)15(21)22/h2-4,9,13H,5-8,10H2,1H3,(H,21,22)
InChIKeySZKYYWOXMBLRSM-UHFFFAOYSA-N
XLogP-0.22
TPSA136.74 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-[2-(2-methoxyethyl)tetrazol-5-yl]-4-(4-methoxyphenyl)sulfonylmorpholine
CID 155507407
[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 155500127
1-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-3-phenoxypropan-1-one
CID 155493815
3-[2-(4-chlorophenyl)morpholin-4-yl]sulfonylbenzoic acid
CID 110416888
3-(2-cyanomorpholin-4-yl)sulfonylbenzoic acid
CID 79675140
2-[2-(2-methoxyethyl)tetrazol-5-yl]-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 155914582
1-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 72875963
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoic acid
CID 690608
4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine
CID 155503723
3-(3,4-dimethylpyrrolidin-1-yl)sulfonylbenzoic acid
CID 79189026
3-[(3S)-3-methylpyrrolidin-1-yl]sulfonylbenzoic acid
CID 167493964
4-methoxy-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]butanoic acid
CID 120702004

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]sulfonylbenzoic acid?
The IUPAC name of 3-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]sulfonylbenzoic acid (CID 155497759) is 3-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]sulfonylbenzoic acid.
What is the SMILES notation for 3-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]sulfonylbenzoic acid?
The canonical SMILES for 3-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]sulfonylbenzoic acid is COCCn1nnc(C2CN(S(=O)(=O)c3cccc(C(=O)O)c3)CCO2)n1.
What is the InChIKey of 3-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]sulfonylbenzoic acid?
The InChIKey is SZKYYWOXMBLRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O6S/c1-25-7-6-20-17-14(16-18-20)13-10-19(5-8-26-13)27(23,24)12-4-2-3-11(9-12)15(21)22/h2-4,9,13H,5-8,10H2,1H3,(H,21,22).
What are the key properties of 3-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]sulfonylbenzoic acid?
3-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]sulfonylbenzoic acid has a molecular weight of 397.41 g/mol, XLogP of -0.22, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]sulfonylbenzoic acid is sourced from PubChem (CID 155497759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).