2-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]pentanoic acid

C13H19NO7S2 — CID 120820494

IUPAC2-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]pentanoic acid
SMILESCCCC(NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1OC)C(=O)O
InChIInChI=1S/C13H19NO7S2/c1-4-5-10(13(15)16)14-23(19,20)12-8-9(22(3,17)18)6-7-11(12)21-2/h6-8,10,14H,4-5H2,1-3H3,(H,15,16)
InChIKeyIYSNGSKPDYRKKQ-UHFFFAOYSA-N
MW365.43 g/mol
LogP0.63
Rot. Bonds8

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

2-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]pentanoic acid (PubChem CID 120820494) has the molecular formula C13H19NO7S2 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]pentanoic acid.

Molecular Properties

Compound Name2-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]pentanoic acid
PubChem CID120820494
Molecular FormulaC13H19NO7S2
Molecular Weight365.43 g/mol
Exact Mass365.06
IUPAC Name2-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]pentanoic acid
SMILESCCCC(NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1OC)C(=O)O
InChIInChI=1S/C13H19NO7S2/c1-4-5-10(13(15)16)14-23(19,20)12-8-9(22(3,17)18)6-7-11(12)21-2/h6-8,10,14H,4-5H2,1-3H3,(H,15,16)
InChIKeyIYSNGSKPDYRKKQ-UHFFFAOYSA-N
XLogP0.63
TPSA126.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5-bromo-2-methoxyphenyl)sulfonylamino]pentanoic acid
CID 43631274
2-[(2,5-dimethoxyphenyl)sulfonylamino]-4-ethylsulfonylbutanoic acid
CID 108781283
2-[(2,4-dimethoxyphenyl)sulfonylamino]pentanoic acid
CID 43631181
(2S)-2-[(5-bromo-2-methoxyphenyl)sulfonylamino]hexanoic acid
CID 104934669
2-[(2,5-dimethoxyphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244972
2-[[2-(difluoromethoxy)-5-fluorophenyl]sulfonylamino]pentanoic acid
CID 122101407
(2S)-5-amino-2-[(2,5-dimethoxyphenyl)sulfonylamino]-5-oxopentanoic acid
CID 9403870
(2R)-3-hydroxy-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanoic acid
CID 80751486
2-[(3,4-dimethoxyphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244059
3-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]propanoic acid
CID 120820491
2-[(2-chloro-5-methylsulfonylphenyl)sulfonylamino]butanoic acid
CID 43415212
(2R)-2-[(4-tert-butylphenyl)sulfonylamino]pentanoic acid
CID 93252469

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]pentanoic acid?
The IUPAC name of 2-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]pentanoic acid (CID 120820494) is 2-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]pentanoic acid.
What is the SMILES notation for 2-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]pentanoic acid?
The canonical SMILES for 2-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]pentanoic acid is CCCC(NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1OC)C(=O)O.
What is the InChIKey of 2-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]pentanoic acid?
The InChIKey is IYSNGSKPDYRKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO7S2/c1-4-5-10(13(15)16)14-23(19,20)12-8-9(22(3,17)18)6-7-11(12)21-2/h6-8,10,14H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 2-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]pentanoic acid?
2-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]pentanoic acid has a molecular weight of 365.43 g/mol, XLogP of 0.63, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]pentanoic acid is sourced from PubChem (CID 120820494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).