2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-4-methoxybutanoic acid

C12H16ClNO6S — CID 62478089

IUPAC2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-4-methoxybutanoic acid
SMILESCOCCC(NS(=O)(=O)c1ccc(Cl)cc1OC)C(=O)O
InChIInChI=1S/C12H16ClNO6S/c1-19-6-5-9(12(15)16)14-21(17,18)11-4-3-8(13)7-10(11)20-2/h3-4,7,9,14H,5-6H2,1-2H3,(H,15,16)
InChIKeyIEDGIBIFYYRYPL-UHFFFAOYSA-N
MW337.78 g/mol
LogP1.12
Rot. Bonds8

About 2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-4-methoxybutanoic acid

2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-4-methoxybutanoic acid (PubChem CID 62478089) has the molecular formula C12H16ClNO6S and a molecular weight of 337.78 g/mol. Its IUPAC name is 2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-4-methoxybutanoic acid
PubChem CID62478089
Molecular FormulaC12H16ClNO6S
Molecular Weight337.78 g/mol
Exact Mass337.04
IUPAC Name2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-4-methoxybutanoic acid
SMILESCOCCC(NS(=O)(=O)c1ccc(Cl)cc1OC)C(=O)O
InChIInChI=1S/C12H16ClNO6S/c1-19-6-5-9(12(15)16)14-21(17,18)11-4-3-8(13)7-10(11)20-2/h3-4,7,9,14H,5-6H2,1-2H3,(H,15,16)
InChIKeyIEDGIBIFYYRYPL-UHFFFAOYSA-N
XLogP1.12
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.78
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-4-methoxybutanoic 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

(2S)-2-[(4-chloro-2-methoxyphenyl)sulfonylamino]butanedioic acid
CID 112733144
4-methoxy-2-[(2-methoxyphenyl)sulfonylamino]butanoic acid
CID 62479342
2-[(4-chloro-2-fluorophenyl)sulfonylamino]-5-methoxypentanoic acid
CID 81086354
2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-3-methylbutanoic acid
CID 43244846
2-[(2,4-dimethoxyphenyl)sulfonylamino]pentanoic acid
CID 43631181
4-chloro-N-(4-hydroxybutan-2-yl)-2-methoxybenzenesulfonamide
CID 115477790
(2S)-3-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 104935815
2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-cyclopropylacetic acid
CID 62697684
2-[(5-fluoro-2-methylphenyl)sulfonylamino]-4-methoxybutanoic acid
CID 62480757
3-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-methoxypropanoic acid
CID 104936690
2-[(4-chloro-2-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244229
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)-3-phenylpropanamide
CID 28542438

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-4-methoxybutanoic acid?
The IUPAC name of 2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-4-methoxybutanoic acid (CID 62478089) is 2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-4-methoxybutanoic acid?
The canonical SMILES for 2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-4-methoxybutanoic acid is COCCC(NS(=O)(=O)c1ccc(Cl)cc1OC)C(=O)O.
What is the InChIKey of 2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-4-methoxybutanoic acid?
The InChIKey is IEDGIBIFYYRYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO6S/c1-19-6-5-9(12(15)16)14-21(17,18)11-4-3-8(13)7-10(11)20-2/h3-4,7,9,14H,5-6H2,1-2H3,(H,15,16).
What are the key properties of 2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-4-methoxybutanoic acid?
2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-4-methoxybutanoic acid has a molecular weight of 337.78 g/mol, XLogP of 1.12, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-4-methoxybutanoic acid is sourced from PubChem (CID 62478089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).