3-[(2,5-dimethoxyphenyl)sulfonylamino]-2-hydroxypropanoic acid

C11H15NO7S — CID 66165859

IUPAC3-[(2,5-dimethoxyphenyl)sulfonylamino]-2-hydroxypropanoic acid
SMILESCOc1ccc(OC)c(S(=O)(=O)NCC(O)C(=O)O)c1
InChIInChI=1S/C11H15NO7S/c1-18-7-3-4-9(19-2)10(5-7)20(16,17)12-6-8(13)11(14)15/h3-5,8,12-13H,6H2,1-2H3,(H,14,15)
InChIKeyBQPCYIWCVLDOHC-UHFFFAOYSA-N
MW305.31 g/mol
LogP-0.57
Rot. Bonds7

About 3-[(2,5-dimethoxyphenyl)sulfonylamino]-2-hydroxypropanoic acid

3-[(2,5-dimethoxyphenyl)sulfonylamino]-2-hydroxypropanoic acid (PubChem CID 66165859) has the molecular formula C11H15NO7S and a molecular weight of 305.31 g/mol. Its IUPAC name is 3-[(2,5-dimethoxyphenyl)sulfonylamino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-[(2,5-dimethoxyphenyl)sulfonylamino]-2-hydroxypropanoic acid
PubChem CID66165859
Molecular FormulaC11H15NO7S
Molecular Weight305.31 g/mol
Exact Mass305.06
IUPAC Name3-[(2,5-dimethoxyphenyl)sulfonylamino]-2-hydroxypropanoic acid
SMILESCOc1ccc(OC)c(S(=O)(=O)NCC(O)C(=O)O)c1
InChIInChI=1S/C11H15NO7S/c1-18-7-3-4-9(19-2)10(5-7)20(16,17)12-6-8(13)11(14)15/h3-5,8,12-13H,6H2,1-2H3,(H,14,15)
InChIKeyBQPCYIWCVLDOHC-UHFFFAOYSA-N
XLogP-0.57
TPSA122.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-3-[(2-bromo-4-methoxyphenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 146127658
N-(2,3-dihydroxypropyl)-2,5-dimethoxybenzenesulfonamide
CID 66175426
(2S)-3-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 104935815
(2S)-3-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 104935846
N-(3-hydroxybutyl)-2,5-dimethoxybenzenesulfonamide
CID 64912067
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 27664736
2-[(2,5-dimethoxyphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244972
N-[(2,5-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 3678279
N-(2-ethylhexyl)-2,5-dimethoxybenzenesulfonamide
CID 19681648
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,5-dimethoxybenzenesulfonamide
CID 30835834
N-(3-hydroxy-2,2-dimethylpropyl)-2,5-dimethoxybenzenesulfonamide
CID 3771736
2-[(2,5-dimethoxyphenyl)sulfonylamino]-2-phenylacetic acid
CID 86776629

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethoxyphenyl)sulfonylamino]-2-hydroxypropanoic acid?
The IUPAC name of 3-[(2,5-dimethoxyphenyl)sulfonylamino]-2-hydroxypropanoic acid (CID 66165859) is 3-[(2,5-dimethoxyphenyl)sulfonylamino]-2-hydroxypropanoic acid.
What is the SMILES notation for 3-[(2,5-dimethoxyphenyl)sulfonylamino]-2-hydroxypropanoic acid?
The canonical SMILES for 3-[(2,5-dimethoxyphenyl)sulfonylamino]-2-hydroxypropanoic acid is COc1ccc(OC)c(S(=O)(=O)NCC(O)C(=O)O)c1.
What is the InChIKey of 3-[(2,5-dimethoxyphenyl)sulfonylamino]-2-hydroxypropanoic acid?
The InChIKey is BQPCYIWCVLDOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO7S/c1-18-7-3-4-9(19-2)10(5-7)20(16,17)12-6-8(13)11(14)15/h3-5,8,12-13H,6H2,1-2H3,(H,14,15).
What are the key properties of 3-[(2,5-dimethoxyphenyl)sulfonylamino]-2-hydroxypropanoic acid?
3-[(2,5-dimethoxyphenyl)sulfonylamino]-2-hydroxypropanoic acid has a molecular weight of 305.31 g/mol, XLogP of -0.57, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethoxyphenyl)sulfonylamino]-2-hydroxypropanoic acid is sourced from PubChem (CID 66165859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).