2-[(4-chloro-2-methylphenyl)sulfonylamino]butanoic acid

C11H14ClNO4S — CID 43470023

IUPAC2-[(4-chloro-2-methylphenyl)sulfonylamino]butanoic acid
SMILESCCC(NS(=O)(=O)c1ccc(Cl)cc1C)C(=O)O
InChIInChI=1S/C11H14ClNO4S/c1-3-9(11(14)15)13-18(16,17)10-5-4-8(12)6-7(10)2/h4-6,9,13H,3H2,1-2H3,(H,14,15)
InChIKeyFENPGPMZYSZRJQ-UHFFFAOYSA-N
MW291.76 g/mol
LogP1.79
Rot. Bonds5

About 2-[(4-chloro-2-methylphenyl)sulfonylamino]butanoic acid

2-[(4-chloro-2-methylphenyl)sulfonylamino]butanoic acid (PubChem CID 43470023) has the molecular formula C11H14ClNO4S and a molecular weight of 291.76 g/mol. Its IUPAC name is 2-[(4-chloro-2-methylphenyl)sulfonylamino]butanoic acid.

Molecular Properties

Compound Name2-[(4-chloro-2-methylphenyl)sulfonylamino]butanoic acid
PubChem CID43470023
Molecular FormulaC11H14ClNO4S
Molecular Weight291.76 g/mol
Exact Mass291.03
IUPAC Name2-[(4-chloro-2-methylphenyl)sulfonylamino]butanoic acid
SMILESCCC(NS(=O)(=O)c1ccc(Cl)cc1C)C(=O)O
InChIInChI=1S/C11H14ClNO4S/c1-3-9(11(14)15)13-18(16,17)10-5-4-8(12)6-7(10)2/h4-6,9,13H,3H2,1-2H3,(H,14,15)
InChIKeyFENPGPMZYSZRJQ-UHFFFAOYSA-N
XLogP1.79
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chloro-2-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244229
5-amino-2-[(4-chloro-2-methylphenyl)sulfonylamino]-5-oxopentanoic acid
CID 43172869
(2R)-2-[(2,5-dibromo-4-methylphenyl)sulfonylamino]butanoic acid
CID 81327907
2-[(4-acetamido-2-fluorophenyl)sulfonylamino]butanoic acid
CID 43427428
(2R)-2-[(2,4-dimethylphenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 28831660
(2S)-2-[(2,4-dichlorophenyl)sulfonylamino]butanedioic acid
CID 154863455
(2S)-2-[(4-acetamido-2-methylphenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 71387146
2-[(2-chloro-5-methylsulfonylphenyl)sulfonylamino]butanoic acid
CID 43415212
(2R)-2-[(3-bromo-4-chlorophenyl)sulfonylamino]butanoic acid
CID 106605478
2-[(4-chloro-2-methylphenyl)sulfonylamino]oxyacetic acid
CID 61062135
3-[(4-chloro-2-methylphenyl)sulfonylamino]propanoic acid
CID 43361136
methyl 2-[(2,5-dichlorophenyl)sulfonylamino]butanoate
CID 113253329

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-methylphenyl)sulfonylamino]butanoic acid?
The IUPAC name of 2-[(4-chloro-2-methylphenyl)sulfonylamino]butanoic acid (CID 43470023) is 2-[(4-chloro-2-methylphenyl)sulfonylamino]butanoic acid.
What is the SMILES notation for 2-[(4-chloro-2-methylphenyl)sulfonylamino]butanoic acid?
The canonical SMILES for 2-[(4-chloro-2-methylphenyl)sulfonylamino]butanoic acid is CCC(NS(=O)(=O)c1ccc(Cl)cc1C)C(=O)O.
What is the InChIKey of 2-[(4-chloro-2-methylphenyl)sulfonylamino]butanoic acid?
The InChIKey is FENPGPMZYSZRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO4S/c1-3-9(11(14)15)13-18(16,17)10-5-4-8(12)6-7(10)2/h4-6,9,13H,3H2,1-2H3,(H,14,15).
What are the key properties of 2-[(4-chloro-2-methylphenyl)sulfonylamino]butanoic acid?
2-[(4-chloro-2-methylphenyl)sulfonylamino]butanoic acid has a molecular weight of 291.76 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-methylphenyl)sulfonylamino]butanoic acid is sourced from PubChem (CID 43470023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).