2-[(2,5-dichlorophenyl)sulfonylamino]-6-fluorobenzoic acid

C13H8Cl2FNO4S — CID 51116002

IUPAC2-[(2,5-dichlorophenyl)sulfonylamino]-6-fluorobenzoic acid
SMILESO=C(O)c1c(F)cccc1NS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H8Cl2FNO4S/c14-7-4-5-8(15)11(6-7)22(20,21)17-10-3-1-2-9(16)12(10)13(18)19/h1-6,17H,(H,18,19)
InChIKeyVXDLYYRHFBLVNJ-UHFFFAOYSA-N
MW364.18 g/mol
LogP3.63
Rot. Bonds4

About 2-[(2,5-dichlorophenyl)sulfonylamino]-6-fluorobenzoic acid

2-[(2,5-dichlorophenyl)sulfonylamino]-6-fluorobenzoic acid (PubChem CID 51116002) has the molecular formula C13H8Cl2FNO4S and a molecular weight of 364.18 g/mol. Its IUPAC name is 2-[(2,5-dichlorophenyl)sulfonylamino]-6-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(2,5-dichlorophenyl)sulfonylamino]-6-fluorobenzoic acid
PubChem CID51116002
Molecular FormulaC13H8Cl2FNO4S
Molecular Weight364.18 g/mol
Exact Mass362.95
IUPAC Name2-[(2,5-dichlorophenyl)sulfonylamino]-6-fluorobenzoic acid
SMILESO=C(O)c1c(F)cccc1NS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H8Cl2FNO4S/c14-7-4-5-8(15)11(6-7)22(20,21)17-10-3-1-2-9(16)12(10)13(18)19/h1-6,17H,(H,18,19)
InChIKeyVXDLYYRHFBLVNJ-UHFFFAOYSA-N
XLogP3.63
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.18
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(2,5-dichlorophenyl)sulfonylamino]-6-fluorobenzoic 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-[(2-bromophenyl)sulfonylamino]-6-fluorobenzoic acid
CID 43443122
5-chloro-2-fluoro-N-(2-fluorophenyl)benzenesulfonamide
CID 110759379
2,5-dichloro-N-(2-chloro-4-fluorophenyl)benzenesulfonamide
CID 26969901
2,5-dichloro-N-(2,4-difluorophenyl)benzenesulfonamide
CID 3702583
2-fluoro-6-(sulfamoylamino)benzoic acid
CID 114958773
N-(2-aminophenyl)-2,5-dichlorobenzenesulfonamide
CID 43344025
N-(2-bromo-4-fluorophenyl)-2,5-dichlorobenzenesulfonamide
CID 3701608
4-[(2,5-dichlorophenyl)sulfonylamino]benzoic acid
CID 776763
2,5-dichloro-N-(2-fluoro-4-iodophenyl)benzenesulfonamide
CID 3776301
2-(cyclopentylsulfonylamino)-6-fluorobenzoic acid
CID 113230561
3,4-dichloro-5-[(2-fluorophenyl)sulfamoyl]benzoic acid
CID 2380504
N-(2-chlorophenyl)-2,5-difluorobenzenesulfonamide
CID 9234601

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorophenyl)sulfonylamino]-6-fluorobenzoic acid?
The IUPAC name of 2-[(2,5-dichlorophenyl)sulfonylamino]-6-fluorobenzoic acid (CID 51116002) is 2-[(2,5-dichlorophenyl)sulfonylamino]-6-fluorobenzoic acid.
What is the SMILES notation for 2-[(2,5-dichlorophenyl)sulfonylamino]-6-fluorobenzoic acid?
The canonical SMILES for 2-[(2,5-dichlorophenyl)sulfonylamino]-6-fluorobenzoic acid is O=C(O)c1c(F)cccc1NS(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[(2,5-dichlorophenyl)sulfonylamino]-6-fluorobenzoic acid?
The InChIKey is VXDLYYRHFBLVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2FNO4S/c14-7-4-5-8(15)11(6-7)22(20,21)17-10-3-1-2-9(16)12(10)13(18)19/h1-6,17H,(H,18,19).
What are the key properties of 2-[(2,5-dichlorophenyl)sulfonylamino]-6-fluorobenzoic acid?
2-[(2,5-dichlorophenyl)sulfonylamino]-6-fluorobenzoic acid has a molecular weight of 364.18 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorophenyl)sulfonylamino]-6-fluorobenzoic acid is sourced from PubChem (CID 51116002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).