methyl 2-[(2,5-dichlorophenyl)sulfonylamino]butanoate

C11H13Cl2NO4S — CID 113253329

IUPACmethyl 2-[(2,5-dichlorophenyl)sulfonylamino]butanoate
SMILESCCC(NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)OC
InChIInChI=1S/C11H13Cl2NO4S/c1-3-9(11(15)18-2)14-19(16,17)10-6-7(12)4-5-8(10)13/h4-6,9,14H,3H2,1-2H3
InChIKeyYWNDSJQFAOEMRY-UHFFFAOYSA-N
MW326.20 g/mol
LogP2.22
Rot. Bonds5

About methyl 2-[(2,5-dichlorophenyl)sulfonylamino]butanoate

methyl 2-[(2,5-dichlorophenyl)sulfonylamino]butanoate (PubChem CID 113253329) has the molecular formula C11H13Cl2NO4S and a molecular weight of 326.20 g/mol. Its IUPAC name is methyl 2-[(2,5-dichlorophenyl)sulfonylamino]butanoate.

Molecular Properties

Compound Namemethyl 2-[(2,5-dichlorophenyl)sulfonylamino]butanoate
PubChem CID113253329
Molecular FormulaC11H13Cl2NO4S
Molecular Weight326.20 g/mol
Exact Mass324.99
IUPAC Namemethyl 2-[(2,5-dichlorophenyl)sulfonylamino]butanoate
SMILESCCC(NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)OC
InChIInChI=1S/C11H13Cl2NO4S/c1-3-9(11(15)18-2)14-19(16,17)10-6-7(12)4-5-8(10)13/h4-6,9,14H,3H2,1-2H3
InChIKeyYWNDSJQFAOEMRY-UHFFFAOYSA-N
XLogP2.22
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,5-dichlorophenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244796
2,5-dichloro-N-[(2S)-1-methoxypropan-2-yl]benzenesulfonamide
CID 670298
(2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 2121600
2,5-dichloro-N-(1-hydrazinyl-1-oxopropan-2-yl)benzenesulfonamide
CID 4320202
2-[(2-chloro-5-methylsulfonylphenyl)sulfonylamino]butanoic acid
CID 43415212
2,5-dichloro-N-pentan-2-ylbenzenesulfonamide
CID 2886118
2,5-dichloro-N-[(2R)-pentan-2-yl]benzenesulfonamide
CID 788817
2-[(4-chloro-2-methylphenyl)sulfonylamino]butanoic acid
CID 43470023
2,5-dichloro-N-(2,5-dichlorophenyl)sulfonylbenzenesulfonamide
CID 121010955
(2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide
CID 126392529
2-[(2,5-dichlorophenyl)sulfonylamino]-2-phenylacetic acid
CID 71563429
(2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-ethoxypropyl)propanamide
CID 126397173

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,5-dichlorophenyl)sulfonylamino]butanoate?
The IUPAC name of methyl 2-[(2,5-dichlorophenyl)sulfonylamino]butanoate (CID 113253329) is methyl 2-[(2,5-dichlorophenyl)sulfonylamino]butanoate.
What is the SMILES notation for methyl 2-[(2,5-dichlorophenyl)sulfonylamino]butanoate?
The canonical SMILES for methyl 2-[(2,5-dichlorophenyl)sulfonylamino]butanoate is CCC(NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)OC.
What is the InChIKey of methyl 2-[(2,5-dichlorophenyl)sulfonylamino]butanoate?
The InChIKey is YWNDSJQFAOEMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO4S/c1-3-9(11(15)18-2)14-19(16,17)10-6-7(12)4-5-8(10)13/h4-6,9,14H,3H2,1-2H3.
What are the key properties of methyl 2-[(2,5-dichlorophenyl)sulfonylamino]butanoate?
methyl 2-[(2,5-dichlorophenyl)sulfonylamino]butanoate has a molecular weight of 326.20 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,5-dichlorophenyl)sulfonylamino]butanoate is sourced from PubChem (CID 113253329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).