2-[(2,6-dichlorophenyl)sulfonylamino]-4-methylsulfanylbutanoic acid

C11H13Cl2NO4S2 — CID 3496411

IUPAC2-[(2,6-dichlorophenyl)sulfonylamino]-4-methylsulfanylbutanoic acid
SMILESCSCCC(NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)O
InChIInChI=1S/C11H13Cl2NO4S2/c1-19-6-5-9(11(15)16)14-20(17,18)10-7(12)3-2-4-8(10)13/h2-4,9,14H,5-6H2,1H3,(H,15,16)
InChIKeyDNWPAUWVUOSNBE-UHFFFAOYSA-N
MW358.27 g/mol
LogP2.48
Rot. Bonds7

About 2-[(2,6-dichlorophenyl)sulfonylamino]-4-methylsulfanylbutanoic acid

2-[(2,6-dichlorophenyl)sulfonylamino]-4-methylsulfanylbutanoic acid (PubChem CID 3496411) has the molecular formula C11H13Cl2NO4S2 and a molecular weight of 358.27 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)sulfonylamino]-4-methylsulfanylbutanoic acid.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)sulfonylamino]-4-methylsulfanylbutanoic acid
PubChem CID3496411
Molecular FormulaC11H13Cl2NO4S2
Molecular Weight358.27 g/mol
Exact Mass356.97
IUPAC Name2-[(2,6-dichlorophenyl)sulfonylamino]-4-methylsulfanylbutanoic acid
SMILESCSCCC(NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)O
InChIInChI=1S/C11H13Cl2NO4S2/c1-19-6-5-9(11(15)16)14-20(17,18)10-7(12)3-2-4-8(10)13/h2-4,9,14H,5-6H2,1H3,(H,15,16)
InChIKeyDNWPAUWVUOSNBE-UHFFFAOYSA-N
XLogP2.48
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)sulfonylamino]-4-methylsulfanylbutanoic acid?
The IUPAC name of 2-[(2,6-dichlorophenyl)sulfonylamino]-4-methylsulfanylbutanoic acid (CID 3496411) is 2-[(2,6-dichlorophenyl)sulfonylamino]-4-methylsulfanylbutanoic acid.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)sulfonylamino]-4-methylsulfanylbutanoic acid?
The canonical SMILES for 2-[(2,6-dichlorophenyl)sulfonylamino]-4-methylsulfanylbutanoic acid is CSCCC(NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)O.
What is the InChIKey of 2-[(2,6-dichlorophenyl)sulfonylamino]-4-methylsulfanylbutanoic acid?
The InChIKey is DNWPAUWVUOSNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO4S2/c1-19-6-5-9(11(15)16)14-20(17,18)10-7(12)3-2-4-8(10)13/h2-4,9,14H,5-6H2,1H3,(H,15,16).
What are the key properties of 2-[(2,6-dichlorophenyl)sulfonylamino]-4-methylsulfanylbutanoic acid?
2-[(2,6-dichlorophenyl)sulfonylamino]-4-methylsulfanylbutanoic acid has a molecular weight of 358.27 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)sulfonylamino]-4-methylsulfanylbutanoic acid is sourced from PubChem (CID 3496411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).