2-[(3-chloro-4-fluorophenyl)sulfonylamino]acetic acid

C8H7ClFNO4S — CID 697755

IUPAC2-[(3-chloro-4-fluorophenyl)sulfonylamino]acetic acid
SMILESO=C(O)CNS(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C8H7ClFNO4S/c9-6-3-5(1-2-7(6)10)16(14,15)11-4-8(12)13/h1-3,11H,4H2,(H,12,13)
InChIKeyRCRPLYVUYSMZDL-UHFFFAOYSA-N
MW267.67 g/mol
LogP0.84
Rot. Bonds4

About 2-[(3-chloro-4-fluorophenyl)sulfonylamino]acetic acid

2-[(3-chloro-4-fluorophenyl)sulfonylamino]acetic acid (PubChem CID 697755) has the molecular formula C8H7ClFNO4S and a molecular weight of 267.67 g/mol. Its IUPAC name is 2-[(3-chloro-4-fluorophenyl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-chloro-4-fluorophenyl)sulfonylamino]acetic acid
PubChem CID697755
Molecular FormulaC8H7ClFNO4S
Molecular Weight267.67 g/mol
Exact Mass266.98
IUPAC Name2-[(3-chloro-4-fluorophenyl)sulfonylamino]acetic acid
SMILESO=C(O)CNS(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C8H7ClFNO4S/c9-6-3-5(1-2-7(6)10)16(14,15)11-4-8(12)13/h1-3,11H,4H2,(H,12,13)
InChIKeyRCRPLYVUYSMZDL-UHFFFAOYSA-N
XLogP0.84
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.67
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(3-chloro-4-fluorophenyl)sulfonylamino]acetic 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-chloro-4-fluorophenyl)sulfonylamino]propanoic acid
CID 697756
2-[(3-chloro-4-cyanophenyl)sulfonylamino]acetic acid
CID 112685913
2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide
CID 52813347
3-chloro-N-[(4-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 26945724
3-chloro-4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
CID 43502351
2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)acetamide
CID 38254473
2-[(3-chloro-4-fluorophenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 43091688
3-chloro-N-[(2-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 3348028
3-chloro-N-[(2,5-difluorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 25047062
3-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-fluorobenzenesulfonamide
CID 107847991
3-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 3338012
N'-(3-chloro-4-fluorophenyl)sulfonylpropanehydrazide
CID 8505477

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-fluorophenyl)sulfonylamino]acetic acid?
The IUPAC name of 2-[(3-chloro-4-fluorophenyl)sulfonylamino]acetic acid (CID 697755) is 2-[(3-chloro-4-fluorophenyl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[(3-chloro-4-fluorophenyl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[(3-chloro-4-fluorophenyl)sulfonylamino]acetic acid is O=C(O)CNS(=O)(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-[(3-chloro-4-fluorophenyl)sulfonylamino]acetic acid?
The InChIKey is RCRPLYVUYSMZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFNO4S/c9-6-3-5(1-2-7(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-chloro-4-fluorophenyl)sulfonylamino]acetic acid?
2-[(3-chloro-4-fluorophenyl)sulfonylamino]acetic acid has a molecular weight of 267.67 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-fluorophenyl)sulfonylamino]acetic acid is sourced from PubChem (CID 697755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).