4-[(2,5-dichlorophenyl)sulfonyl-methylamino]butanoic acid

C11H13Cl2NO4S — CID 43235943

IUPAC4-[(2,5-dichlorophenyl)sulfonyl-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H13Cl2NO4S/c1-14(6-2-3-11(15)16)19(17,18)10-7-8(12)4-5-9(10)13/h4-5,7H,2-3,6H2,1H3,(H,15,16)
InChIKeyCHJOWKSPNMZQBE-UHFFFAOYSA-N
MW326.20 g/mol
LogP2.48
Rot. Bonds6

About 4-[(2,5-dichlorophenyl)sulfonyl-methylamino]butanoic acid

4-[(2,5-dichlorophenyl)sulfonyl-methylamino]butanoic acid (PubChem CID 43235943) has the molecular formula C11H13Cl2NO4S and a molecular weight of 326.20 g/mol. Its IUPAC name is 4-[(2,5-dichlorophenyl)sulfonyl-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[(2,5-dichlorophenyl)sulfonyl-methylamino]butanoic acid
PubChem CID43235943
Molecular FormulaC11H13Cl2NO4S
Molecular Weight326.20 g/mol
Exact Mass324.99
IUPAC Name4-[(2,5-dichlorophenyl)sulfonyl-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H13Cl2NO4S/c1-14(6-2-3-11(15)16)19(17,18)10-7-8(12)4-5-9(10)13/h4-5,7H,2-3,6H2,1H3,(H,15,16)
InChIKeyCHJOWKSPNMZQBE-UHFFFAOYSA-N
XLogP2.48
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-chloro-2-cyanophenyl)sulfonyl-methylamino]butanoic acid
CID 43245320
4-(2,4-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)butanoic acid
CID 50892700
5-[(2-chlorophenyl)sulfonyl-methylamino]pentanoic acid
CID 69317552
3-[(2,5-dichlorophenyl)sulfonyl-methylamino]propanethioamide
CID 43344046
4-(N-(2,5-dichlorophenyl)sulfonyl-4-methoxyanilino)butanoic acid
CID 50891450
4-[(3-bromo-4-chlorophenyl)sulfonyl-methylamino]butanoic acid
CID 106605185
4-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]butanoic acid
CID 43422935
3-(N-(2,5-dichlorophenyl)sulfonyl-2,6-dimethylanilino)propanoic acid
CID 50892137
5-[(2,6-dichlorophenyl)sulfonyl-methylamino]pentanoic acid
CID 58711704
4-[(2-chloro-5-propan-2-ylphenyl)sulfonyl-methylamino]-N-methylbutanamide
CID 100636885
4-chloro-3-[methyl(propyl)sulfamoyl]benzoic acid
CID 43271122
N-[2-(2-bromoethoxy)ethyl]-2,5-dichloro-N-methylbenzenesulfonamide
CID 114242902

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dichlorophenyl)sulfonyl-methylamino]butanoic acid?
The IUPAC name of 4-[(2,5-dichlorophenyl)sulfonyl-methylamino]butanoic acid (CID 43235943) is 4-[(2,5-dichlorophenyl)sulfonyl-methylamino]butanoic acid.
What is the SMILES notation for 4-[(2,5-dichlorophenyl)sulfonyl-methylamino]butanoic acid?
The canonical SMILES for 4-[(2,5-dichlorophenyl)sulfonyl-methylamino]butanoic acid is CN(CCCC(=O)O)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 4-[(2,5-dichlorophenyl)sulfonyl-methylamino]butanoic acid?
The InChIKey is CHJOWKSPNMZQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO4S/c1-14(6-2-3-11(15)16)19(17,18)10-7-8(12)4-5-9(10)13/h4-5,7H,2-3,6H2,1H3,(H,15,16).
What are the key properties of 4-[(2,5-dichlorophenyl)sulfonyl-methylamino]butanoic acid?
4-[(2,5-dichlorophenyl)sulfonyl-methylamino]butanoic acid has a molecular weight of 326.20 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dichlorophenyl)sulfonyl-methylamino]butanoic acid is sourced from PubChem (CID 43235943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).