2-[[(2,3-dichlorophenyl)sulfonylamino]methyl]butanoic acid

C11H13Cl2NO4S — CID 65222532

IUPAC2-[[(2,3-dichlorophenyl)sulfonylamino]methyl]butanoic acid
SMILESCCC(CNS(=O)(=O)c1cccc(Cl)c1Cl)C(=O)O
InChIInChI=1S/C11H13Cl2NO4S/c1-2-7(11(15)16)6-14-19(17,18)9-5-3-4-8(12)10(9)13/h3-5,7,14H,2,6H2,1H3,(H,15,16)
InChIKeyXDSHHLOJICLQNT-UHFFFAOYSA-N
MW326.20 g/mol
LogP2.38
Rot. Bonds6

About 2-[[(2,3-dichlorophenyl)sulfonylamino]methyl]butanoic acid

2-[[(2,3-dichlorophenyl)sulfonylamino]methyl]butanoic acid (PubChem CID 65222532) has the molecular formula C11H13Cl2NO4S and a molecular weight of 326.20 g/mol. Its IUPAC name is 2-[[(2,3-dichlorophenyl)sulfonylamino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[(2,3-dichlorophenyl)sulfonylamino]methyl]butanoic acid
PubChem CID65222532
Molecular FormulaC11H13Cl2NO4S
Molecular Weight326.20 g/mol
Exact Mass324.99
IUPAC Name2-[[(2,3-dichlorophenyl)sulfonylamino]methyl]butanoic acid
SMILESCCC(CNS(=O)(=O)c1cccc(Cl)c1Cl)C(=O)O
InChIInChI=1S/C11H13Cl2NO4S/c1-2-7(11(15)16)6-14-19(17,18)9-5-3-4-8(12)10(9)13/h3-5,7,14H,2,6H2,1H3,(H,15,16)
InChIKeyXDSHHLOJICLQNT-UHFFFAOYSA-N
XLogP2.38
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dichloro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 83030309
2-[[(3,4-dichlorophenyl)sulfonylamino]methyl]butanoic acid
CID 65222683
2-[[(2-fluoro-5-methylphenyl)sulfonylamino]methyl]butanoic acid
CID 65222888
2,3-dichloro-N-(3-hydroxybutyl)benzenesulfonamide
CID 64912476
(2S)-3-[(2-chlorophenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 104935868
(2S)-2-[(2,3-dichlorophenyl)sulfonylamino]-3-methylbutanoic acid
CID 61137287
N-(2-amino-2-phenylethyl)-2,3-dichlorobenzenesulfonamide
CID 43605705
2,3-dichloro-N-(4-hydroxypentyl)benzenesulfonamide
CID 107271143
N'-(2,3-dichlorophenyl)sulfonylpropanehydrazide
CID 8505483
2-[[2-(methylsulfamoyl)anilino]methyl]butanoic acid
CID 65226875
N-(2-aminobutyl)-3-chloro-2-methylbenzenesulfonamide
CID 55231263
(2S)-2-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]butanamide
CID 177299430

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,3-dichlorophenyl)sulfonylamino]methyl]butanoic acid?
The IUPAC name of 2-[[(2,3-dichlorophenyl)sulfonylamino]methyl]butanoic acid (CID 65222532) is 2-[[(2,3-dichlorophenyl)sulfonylamino]methyl]butanoic acid.
What is the SMILES notation for 2-[[(2,3-dichlorophenyl)sulfonylamino]methyl]butanoic acid?
The canonical SMILES for 2-[[(2,3-dichlorophenyl)sulfonylamino]methyl]butanoic acid is CCC(CNS(=O)(=O)c1cccc(Cl)c1Cl)C(=O)O.
What is the InChIKey of 2-[[(2,3-dichlorophenyl)sulfonylamino]methyl]butanoic acid?
The InChIKey is XDSHHLOJICLQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO4S/c1-2-7(11(15)16)6-14-19(17,18)9-5-3-4-8(12)10(9)13/h3-5,7,14H,2,6H2,1H3,(H,15,16).
What are the key properties of 2-[[(2,3-dichlorophenyl)sulfonylamino]methyl]butanoic acid?
2-[[(2,3-dichlorophenyl)sulfonylamino]methyl]butanoic acid has a molecular weight of 326.20 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,3-dichlorophenyl)sulfonylamino]methyl]butanoic acid is sourced from PubChem (CID 65222532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).