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

C8H7Cl2NO4S — CID 504252

IUPAC2-[(3,4-dichlorophenyl)sulfonylamino]acetic acid
SMILESO=C(O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H7Cl2NO4S/c9-6-2-1-5(3-7(6)10)16(14,15)11-4-8(12)13/h1-3,11H,4H2,(H,12,13)
InChIKeyAPIPQJHUNCPKSU-UHFFFAOYSA-N
MW284.12 g/mol
LogP1.36
Rot. Bonds4

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

2-[(3,4-dichlorophenyl)sulfonylamino]acetic acid (PubChem CID 504252) has the molecular formula C8H7Cl2NO4S and a molecular weight of 284.12 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)sulfonylamino]acetic acid
PubChem CID504252
Molecular FormulaC8H7Cl2NO4S
Molecular Weight284.12 g/mol
Exact Mass282.95
IUPAC Name2-[(3,4-dichlorophenyl)sulfonylamino]acetic acid
SMILESO=C(O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H7Cl2NO4S/c9-6-2-1-5(3-7(6)10)16(14,15)11-4-8(12)13/h1-3,11H,4H2,(H,12,13)
InChIKeyAPIPQJHUNCPKSU-UHFFFAOYSA-N
XLogP1.36
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.12
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)sulfonylamino]acetic acid?
The IUPAC name of 2-[(3,4-dichlorophenyl)sulfonylamino]acetic acid (CID 504252) is 2-[(3,4-dichlorophenyl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[(3,4-dichlorophenyl)sulfonylamino]acetic acid is O=C(O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[(3,4-dichlorophenyl)sulfonylamino]acetic acid?
The InChIKey is APIPQJHUNCPKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2NO4S/c9-6-2-1-5(3-7(6)10)16(14,15)11-4-8(12)13/h1-3,11H,4H2,(H,12,13).
What are the key properties of 2-[(3,4-dichlorophenyl)sulfonylamino]acetic acid?
2-[(3,4-dichlorophenyl)sulfonylamino]acetic acid has a molecular weight of 284.12 g/mol, XLogP of 1.36, 4 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]acetic acid is sourced from PubChem (CID 504252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).