2-[3-[(2,6-dichlorophenyl)sulfonylamino]propanoyl-methylamino]acetic acid

C12H14Cl2N2O5S — CID 119346190

IUPAC2-[3-[(2,6-dichlorophenyl)sulfonylamino]propanoyl-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H14Cl2N2O5S/c1-16(7-11(18)19)10(17)5-6-15-22(20,21)12-8(13)3-2-4-9(12)14/h2-4,15H,5-7H2,1H3,(H,18,19)
InChIKeyONQUYPAPYLCLBH-UHFFFAOYSA-N
MW369.23 g/mol
LogP1.20
Rot. Bonds7

About 2-[3-[(2,6-dichlorophenyl)sulfonylamino]propanoyl-methylamino]acetic acid

2-[3-[(2,6-dichlorophenyl)sulfonylamino]propanoyl-methylamino]acetic acid (PubChem CID 119346190) has the molecular formula C12H14Cl2N2O5S and a molecular weight of 369.23 g/mol. Its IUPAC name is 2-[3-[(2,6-dichlorophenyl)sulfonylamino]propanoyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[3-[(2,6-dichlorophenyl)sulfonylamino]propanoyl-methylamino]acetic acid
PubChem CID119346190
Molecular FormulaC12H14Cl2N2O5S
Molecular Weight369.23 g/mol
Exact Mass368.00
IUPAC Name2-[3-[(2,6-dichlorophenyl)sulfonylamino]propanoyl-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H14Cl2N2O5S/c1-16(7-11(18)19)10(17)5-6-15-22(20,21)12-8(13)3-2-4-9(12)14/h2-4,15H,5-7H2,1H3,(H,18,19)
InChIKeyONQUYPAPYLCLBH-UHFFFAOYSA-N
XLogP1.20
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.23
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,6-dichlorophenyl)sulfonylamino]propanoic acid
CID 697936
2-[methyl-[3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanoyl]amino]acetic acid
CID 119171880
3-[(2,6-dichlorophenyl)sulfonylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide
CID 143223977
4-[3-[(2,6-dichlorophenyl)sulfonylamino]propanoylamino]butanoic acid
CID 119352507
2-[(2,6-dichlorophenyl)sulfonyl-methylamino]acetic acid
CID 43091528
4-[(2,6-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid
CID 80540414
N-(3-aminobutyl)-3-[(2,6-dichlorophenyl)sulfonylamino]propanamide
CID 119498614
3-[(4-amino-2,6-dichlorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 61126649
4-[(2,6-dichlorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 62044183
N-[(3-chlorophenyl)methyl]-3-[(2-chlorophenyl)sulfonylamino]-N-methylpropanamide
CID 55349042
2,6-dichloro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43606022
3-[(2-chlorophenyl)sulfonylamino]-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 51161411

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2,6-dichlorophenyl)sulfonylamino]propanoyl-methylamino]acetic acid?
The IUPAC name of 2-[3-[(2,6-dichlorophenyl)sulfonylamino]propanoyl-methylamino]acetic acid (CID 119346190) is 2-[3-[(2,6-dichlorophenyl)sulfonylamino]propanoyl-methylamino]acetic acid.
What is the SMILES notation for 2-[3-[(2,6-dichlorophenyl)sulfonylamino]propanoyl-methylamino]acetic acid?
The canonical SMILES for 2-[3-[(2,6-dichlorophenyl)sulfonylamino]propanoyl-methylamino]acetic acid is CN(CC(=O)O)C(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 2-[3-[(2,6-dichlorophenyl)sulfonylamino]propanoyl-methylamino]acetic acid?
The InChIKey is ONQUYPAPYLCLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O5S/c1-16(7-11(18)19)10(17)5-6-15-22(20,21)12-8(13)3-2-4-9(12)14/h2-4,15H,5-7H2,1H3,(H,18,19).
What are the key properties of 2-[3-[(2,6-dichlorophenyl)sulfonylamino]propanoyl-methylamino]acetic acid?
2-[3-[(2,6-dichlorophenyl)sulfonylamino]propanoyl-methylamino]acetic acid has a molecular weight of 369.23 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2,6-dichlorophenyl)sulfonylamino]propanoyl-methylamino]acetic acid is sourced from PubChem (CID 119346190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).