2-[(2,5-dimethoxyphenyl)sulfonylamino]-2-phenylacetic acid

C16H17NO6S — CID 86776629

IUPAC2-[(2,5-dimethoxyphenyl)sulfonylamino]-2-phenylacetic acid
SMILESCOc1ccc(OC)c(S(=O)(=O)NC(C(=O)O)c2ccccc2)c1
InChIInChI=1S/C16H17NO6S/c1-22-12-8-9-13(23-2)14(10-12)24(20,21)17-15(16(18)19)11-6-4-3-5-7-11/h3-10,15,17H,1-2H3,(H,18,19)
InChIKeyHOZZFMLZRMIDHC-UHFFFAOYSA-N
MW351.38 g/mol
LogP1.81
Rot. Bonds7

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

2-[(2,5-dimethoxyphenyl)sulfonylamino]-2-phenylacetic acid (PubChem CID 86776629) has the molecular formula C16H17NO6S and a molecular weight of 351.38 g/mol. Its IUPAC name is 2-[(2,5-dimethoxyphenyl)sulfonylamino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(2,5-dimethoxyphenyl)sulfonylamino]-2-phenylacetic acid
PubChem CID86776629
Molecular FormulaC16H17NO6S
Molecular Weight351.38 g/mol
Exact Mass351.08
IUPAC Name2-[(2,5-dimethoxyphenyl)sulfonylamino]-2-phenylacetic acid
SMILESCOc1ccc(OC)c(S(=O)(=O)NC(C(=O)O)c2ccccc2)c1
InChIInChI=1S/C16H17NO6S/c1-22-12-8-9-13(23-2)14(10-12)24(20,21)17-15(16(18)19)11-6-4-3-5-7-11/h3-10,15,17H,1-2H3,(H,18,19)
InChIKeyHOZZFMLZRMIDHC-UHFFFAOYSA-N
XLogP1.81
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 9115180
2-[(4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid
CID 500044
(2R)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 9115181
(2S)-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid
CID 42184451
2-[(2,5-dimethoxyphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244972
(2R)-2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]-2-phenylacetic acid
CID 122069465
2,5-dimethoxy-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 3852201
2-[(2,5-dimethoxyphenyl)sulfonylamino]-4-ethylsulfonylbutanoic acid
CID 108781283
methyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]-2-phenylacetate
CID 3721813
(2S)-5-amino-2-[(2,5-dimethoxyphenyl)sulfonylamino]-5-oxopentanoic acid
CID 9403870
3-[(2,5-dimethoxyphenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 66165859
2,5-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide
CID 22201159

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethoxyphenyl)sulfonylamino]-2-phenylacetic acid?
The IUPAC name of 2-[(2,5-dimethoxyphenyl)sulfonylamino]-2-phenylacetic acid (CID 86776629) is 2-[(2,5-dimethoxyphenyl)sulfonylamino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(2,5-dimethoxyphenyl)sulfonylamino]-2-phenylacetic acid?
The canonical SMILES for 2-[(2,5-dimethoxyphenyl)sulfonylamino]-2-phenylacetic acid is COc1ccc(OC)c(S(=O)(=O)NC(C(=O)O)c2ccccc2)c1.
What is the InChIKey of 2-[(2,5-dimethoxyphenyl)sulfonylamino]-2-phenylacetic acid?
The InChIKey is HOZZFMLZRMIDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO6S/c1-22-12-8-9-13(23-2)14(10-12)24(20,21)17-15(16(18)19)11-6-4-3-5-7-11/h3-10,15,17H,1-2H3,(H,18,19).
What are the key properties of 2-[(2,5-dimethoxyphenyl)sulfonylamino]-2-phenylacetic acid?
2-[(2,5-dimethoxyphenyl)sulfonylamino]-2-phenylacetic acid has a molecular weight of 351.38 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethoxyphenyl)sulfonylamino]-2-phenylacetic acid is sourced from PubChem (CID 86776629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).