3-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]propanoic acid

C11H15NO7S2 — CID 120820491

IUPAC3-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]propanoic acid
SMILESCOc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NCCC(=O)O
InChIInChI=1S/C11H15NO7S2/c1-19-9-4-3-8(20(2,15)16)7-10(9)21(17,18)12-6-5-11(13)14/h3-4,7,12H,5-6H2,1-2H3,(H,13,14)
InChIKeyMWKPPRMUQSXEOZ-UHFFFAOYSA-N
MW337.38 g/mol
LogP-0.15
Rot. Bonds7

About 3-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]propanoic acid

3-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]propanoic acid (PubChem CID 120820491) has the molecular formula C11H15NO7S2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 3-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name3-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]propanoic acid
PubChem CID120820491
Molecular FormulaC11H15NO7S2
Molecular Weight337.38 g/mol
Exact Mass337.03
IUPAC Name3-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]propanoic acid
SMILESCOc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NCCC(=O)O
InChIInChI=1S/C11H15NO7S2/c1-19-9-4-3-8(20(2,15)16)7-10(9)21(17,18)12-6-5-11(13)14/h3-4,7,12H,5-6H2,1-2H3,(H,13,14)
InChIKeyMWKPPRMUQSXEOZ-UHFFFAOYSA-N
XLogP-0.15
TPSA126.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]butyl]acetamide
CID 110356844
2-methoxy-N-(3-methoxypropyl)-5-methylsulfonylbenzenesulfonamide
CID 110300192
4-[[2-methoxy-5-(methoxymethyl)phenyl]sulfonylamino]butanoic acid
CID 122067616
2-methoxy-5-methylsulfonyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 110300194
2-methoxy-5-methylsulfonyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 120999802
2-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]pentanoic acid
CID 120820494
methyl 3-[(5-amino-2-methoxyphenyl)sulfonylamino]propanoate
CID 43665927
2-[3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoylamino]acetic acid
CID 119171293
4-(2-methoxy-5-methylsulfonylphenyl)butanoic acid
CID 117433758
4-[[5-(2-carboxyethenyl)-2-methoxyphenyl]sulfonylamino]butanoic acid
CID 2769939
methyl 3-[(3-amino-4-methoxyphenyl)sulfonylamino]propanoate
CID 43665935
3-[(2-methoxy-5-methylsulfonylbenzoyl)-methylamino]propanoic acid
CID 120687388

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]propanoic acid?
The IUPAC name of 3-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]propanoic acid (CID 120820491) is 3-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]propanoic acid.
What is the SMILES notation for 3-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]propanoic acid?
The canonical SMILES for 3-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]propanoic acid is COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NCCC(=O)O.
What is the InChIKey of 3-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]propanoic acid?
The InChIKey is MWKPPRMUQSXEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO7S2/c1-19-9-4-3-8(20(2,15)16)7-10(9)21(17,18)12-6-5-11(13)14/h3-4,7,12H,5-6H2,1-2H3,(H,13,14).
What are the key properties of 3-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]propanoic acid?
3-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]propanoic acid has a molecular weight of 337.38 g/mol, XLogP of -0.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]propanoic acid is sourced from PubChem (CID 120820491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).