2-[[(3,4-dichlorophenyl)sulfonylamino]methyl]butanoic acid

C11H13Cl2NO4S — CID 65222683

IUPAC2-[[(3,4-dichlorophenyl)sulfonylamino]methyl]butanoic acid
SMILESCCC(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)O
InChIInChI=1S/C11H13Cl2NO4S/c1-2-7(11(15)16)6-14-19(17,18)8-3-4-9(12)10(13)5-8/h3-5,7,14H,2,6H2,1H3,(H,15,16)
InChIKeyZJQPXUXGSSPDSX-UHFFFAOYSA-N
MW326.20 g/mol
LogP2.38
Rot. Bonds6

About 2-[[(3,4-dichlorophenyl)sulfonylamino]methyl]butanoic acid

2-[[(3,4-dichlorophenyl)sulfonylamino]methyl]butanoic acid (PubChem CID 65222683) has the molecular formula C11H13Cl2NO4S and a molecular weight of 326.20 g/mol. Its IUPAC name is 2-[[(3,4-dichlorophenyl)sulfonylamino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[(3,4-dichlorophenyl)sulfonylamino]methyl]butanoic acid
PubChem CID65222683
Molecular FormulaC11H13Cl2NO4S
Molecular Weight326.20 g/mol
Exact Mass324.99
IUPAC Name2-[[(3,4-dichlorophenyl)sulfonylamino]methyl]butanoic acid
SMILESCCC(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)O
InChIInChI=1S/C11H13Cl2NO4S/c1-2-7(11(15)16)6-14-19(17,18)8-3-4-9(12)10(13)5-8/h3-5,7,14H,2,6H2,1H3,(H,15,16)
InChIKeyZJQPXUXGSSPDSX-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

Analyze 2-[[(3,4-dichlorophenyl)sulfonylamino]methyl]butanoic 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

3-[[(3,4-dichlorophenyl)sulfonylamino]methyl]pentanoic acid
CID 81066204
2-[[(4-methoxy-3-methylphenyl)sulfonylamino]methyl]butanoic acid
CID 65222500
3,4-dichloro-N-(2,2-dimethoxyethyl)benzenesulfonamide
CID 3498417
2-[[(2,3-dichlorophenyl)sulfonylamino]methyl]butanoic acid
CID 65222532
2-[[(4-hydroxy-3-nitrophenyl)sulfonylamino]methyl]butanoic acid
CID 65222533
2-chloro-4-(2-methylpropylsulfamoyl)benzoic acid
CID 113437740
2-chloro-5-(2,2-dimethoxyethylsulfamoyl)benzoic acid
CID 78907701
3,4-dichloro-N-(2-chloro-2-cyclopropylethyl)benzenesulfonamide
CID 65031737
2-[[(2-fluoro-5-methylphenyl)sulfonylamino]methyl]butanoic acid
CID 65222888
2-ethyl-4-[(4-methoxyphenyl)sulfonylamino]butanoic acid
CID 138045011
4-[(3,4-dichlorophenyl)sulfonylamino]-3-hydroxy-3-methylbutanoic acid
CID 66003945
3-chloro-N-(3-ethyl-2-hydroxypentyl)-4-methoxybenzenesulfonamide
CID 103835165

Frequently Asked Questions

What is the IUPAC name of 2-[[(3,4-dichlorophenyl)sulfonylamino]methyl]butanoic acid?
The IUPAC name of 2-[[(3,4-dichlorophenyl)sulfonylamino]methyl]butanoic acid (CID 65222683) is 2-[[(3,4-dichlorophenyl)sulfonylamino]methyl]butanoic acid.
What is the SMILES notation for 2-[[(3,4-dichlorophenyl)sulfonylamino]methyl]butanoic acid?
The canonical SMILES for 2-[[(3,4-dichlorophenyl)sulfonylamino]methyl]butanoic acid is CCC(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)O.
What is the InChIKey of 2-[[(3,4-dichlorophenyl)sulfonylamino]methyl]butanoic acid?
The InChIKey is ZJQPXUXGSSPDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO4S/c1-2-7(11(15)16)6-14-19(17,18)8-3-4-9(12)10(13)5-8/h3-5,7,14H,2,6H2,1H3,(H,15,16).
What are the key properties of 2-[[(3,4-dichlorophenyl)sulfonylamino]methyl]butanoic acid?
2-[[(3,4-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-[[(3,4-dichlorophenyl)sulfonylamino]methyl]butanoic acid is sourced from PubChem (CID 65222683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).