2-chloro-5-[(3-fluorophenyl)sulfonylamino]benzoic acid

C13H9ClFNO4S — CID 51118457

IUPAC2-chloro-5-[(3-fluorophenyl)sulfonylamino]benzoic acid
SMILESO=C(O)c1cc(NS(=O)(=O)c2cccc(F)c2)ccc1Cl
InChIInChI=1S/C13H9ClFNO4S/c14-12-5-4-9(7-11(12)13(17)18)16-21(19,20)10-3-1-2-8(15)6-10/h1-7,16H,(H,17,18)
InChIKeyKSONSUFKLUGUER-UHFFFAOYSA-N
MW329.74 g/mol
LogP2.98
Rot. Bonds4

About 2-chloro-5-[(3-fluorophenyl)sulfonylamino]benzoic acid

2-chloro-5-[(3-fluorophenyl)sulfonylamino]benzoic acid (PubChem CID 51118457) has the molecular formula C13H9ClFNO4S and a molecular weight of 329.74 g/mol. Its IUPAC name is 2-chloro-5-[(3-fluorophenyl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[(3-fluorophenyl)sulfonylamino]benzoic acid
PubChem CID51118457
Molecular FormulaC13H9ClFNO4S
Molecular Weight329.74 g/mol
Exact Mass328.99
IUPAC Name2-chloro-5-[(3-fluorophenyl)sulfonylamino]benzoic acid
SMILESO=C(O)c1cc(NS(=O)(=O)c2cccc(F)c2)ccc1Cl
InChIInChI=1S/C13H9ClFNO4S/c14-12-5-4-9(7-11(12)13(17)18)16-21(19,20)10-3-1-2-8(15)6-10/h1-7,16H,(H,17,18)
InChIKeyKSONSUFKLUGUER-UHFFFAOYSA-N
XLogP2.98
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.74
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-chloro-5-[(3-fluorophenyl)sulfonylamino]benzoic 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-chloro-5-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid
CID 56828322
2,3-dichloro-5-[(3-fluorophenyl)sulfamoyl]benzoic acid
CID 71882393
2-(diethylamino)-5-[(3-fluorophenyl)sulfonylamino]benzoic acid;2,2,2-trifluoroacetic acid
CID 146055361
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-fluorobenzenesulfonamide
CID 26967322
2-fluoro-5-[(3-fluorophenyl)sulfonylamino]benzenecarbothioamide
CID 62317901
2-(dimethylamino)-5-[(3-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 50766388
5-[(3-fluorophenyl)sulfonylamino]-2-(4-piperidin-1-ylpiperidin-1-yl)benzoic acid
CID 50766797
2-(dipropylamino)-5-[(3-fluorophenyl)sulfonylamino]benzoic acid;2,2,2-trifluoroacetic acid
CID 146055120
3-[(3-fluorophenyl)sulfonylamino]naphthalene-2-carboxylic acid
CID 16778029
3-(3,4-dichlorophenyl)sulfonyl-N-(3-fluorophenyl)benzenesulfonamide
CID 134089881
2-chloro-5-(sulfoamino)benzoic acid
CID 169095231
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-5-[(3-fluorophenyl)sulfonylamino]benzoic acid
CID 50766373

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(3-fluorophenyl)sulfonylamino]benzoic acid?
The IUPAC name of 2-chloro-5-[(3-fluorophenyl)sulfonylamino]benzoic acid (CID 51118457) is 2-chloro-5-[(3-fluorophenyl)sulfonylamino]benzoic acid.
What is the SMILES notation for 2-chloro-5-[(3-fluorophenyl)sulfonylamino]benzoic acid?
The canonical SMILES for 2-chloro-5-[(3-fluorophenyl)sulfonylamino]benzoic acid is O=C(O)c1cc(NS(=O)(=O)c2cccc(F)c2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[(3-fluorophenyl)sulfonylamino]benzoic acid?
The InChIKey is KSONSUFKLUGUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO4S/c14-12-5-4-9(7-11(12)13(17)18)16-21(19,20)10-3-1-2-8(15)6-10/h1-7,16H,(H,17,18).
What are the key properties of 2-chloro-5-[(3-fluorophenyl)sulfonylamino]benzoic acid?
2-chloro-5-[(3-fluorophenyl)sulfonylamino]benzoic acid has a molecular weight of 329.74 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(3-fluorophenyl)sulfonylamino]benzoic acid is sourced from PubChem (CID 51118457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).