2-[[4-(difluoromethylsulfonylamino)benzoyl]amino]acetic acid

C10H10F2N2O5S — CID 28550291

IUPAC2-[[4-(difluoromethylsulfonylamino)benzoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(NS(=O)(=O)C(F)F)cc1
InChIInChI=1S/C10H10F2N2O5S/c11-10(12)20(18,19)14-7-3-1-6(2-4-7)9(17)13-5-8(15)16/h1-4,10,14H,5H2,(H,13,17)(H,15,16)
InChIKeyHRUBBIWVTSWAPX-UHFFFAOYSA-N
MW308.26 g/mol
LogP0.47
Rot. Bonds6

About 2-[[4-(difluoromethylsulfonylamino)benzoyl]amino]acetic acid

2-[[4-(difluoromethylsulfonylamino)benzoyl]amino]acetic acid (PubChem CID 28550291) has the molecular formula C10H10F2N2O5S and a molecular weight of 308.26 g/mol. Its IUPAC name is 2-[[4-(difluoromethylsulfonylamino)benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-(difluoromethylsulfonylamino)benzoyl]amino]acetic acid
PubChem CID28550291
Molecular FormulaC10H10F2N2O5S
Molecular Weight308.26 g/mol
Exact Mass308.03
IUPAC Name2-[[4-(difluoromethylsulfonylamino)benzoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(NS(=O)(=O)C(F)F)cc1
InChIInChI=1S/C10H10F2N2O5S/c11-10(12)20(18,19)14-7-3-1-6(2-4-7)9(17)13-5-8(15)16/h1-4,10,14H,5H2,(H,13,17)(H,15,16)
InChIKeyHRUBBIWVTSWAPX-UHFFFAOYSA-N
XLogP0.47
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[4-(difluoromethylsulfonylamino)benzoyl]amino]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

2-[[4-[(4-carbamoylphenyl)sulfonylamino]benzoyl]amino]acetic acid
CID 45307830
4-(carboxymethylcarbamoyl)benzoic acid
CID 166957862
1,1-difluoro-N-[4-(hydroxymethyl)phenyl]methanesulfonamide
CID 64795267
2-benzamidoacetic acid;hydrofluoride
CID 174760685
2-[[4-(2-methylbutanoylamino)benzoyl]amino]acetic acid
CID 24694310
2-[[2-[(4-acetamidobenzoyl)amino]acetyl]amino]acetic acid
CID 43465277
2-[[4-(dimethylcarbamoylamino)benzoyl]amino]acetic acid
CID 61196082
2-[[4-[[4-(carboxymethylcarbamoyl)phenyl]-(sulfanylmethyl)phosphanyl]benzoyl]amino]acetic acid
CID 59202677
2-[[4-[(4-hydroxy-3-methoxycarbonylphenyl)sulfonylamino]benzoyl]amino]acetic acid
CID 55878671
2-[[4-[(2-fluorobenzoyl)amino]benzoyl]amino]acetic acid
CID 45435138
2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]acetic acid
CID 2731835
(Z)-4-[4-(carboxymethylcarbamoyl)anilino]-4-oxobut-2-enoic acid
CID 54609782

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(difluoromethylsulfonylamino)benzoyl]amino]acetic acid?
The IUPAC name of 2-[[4-(difluoromethylsulfonylamino)benzoyl]amino]acetic acid (CID 28550291) is 2-[[4-(difluoromethylsulfonylamino)benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-(difluoromethylsulfonylamino)benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[4-(difluoromethylsulfonylamino)benzoyl]amino]acetic acid is O=C(O)CNC(=O)c1ccc(NS(=O)(=O)C(F)F)cc1.
What is the InChIKey of 2-[[4-(difluoromethylsulfonylamino)benzoyl]amino]acetic acid?
The InChIKey is HRUBBIWVTSWAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O5S/c11-10(12)20(18,19)14-7-3-1-6(2-4-7)9(17)13-5-8(15)16/h1-4,10,14H,5H2,(H,13,17)(H,15,16).
What are the key properties of 2-[[4-(difluoromethylsulfonylamino)benzoyl]amino]acetic acid?
2-[[4-(difluoromethylsulfonylamino)benzoyl]amino]acetic acid has a molecular weight of 308.26 g/mol, XLogP of 0.47, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(difluoromethylsulfonylamino)benzoyl]amino]acetic acid is sourced from PubChem (CID 28550291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).