2,3-dichloro-5-[(3-fluorophenyl)sulfamoyl]benzoic acid

C13H8Cl2FNO4S — CID 71882393

IUPAC2,3-dichloro-5-[(3-fluorophenyl)sulfamoyl]benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2cccc(F)c2)cc(Cl)c1Cl
InChIInChI=1S/C13H8Cl2FNO4S/c14-11-6-9(5-10(12(11)15)13(18)19)22(20,21)17-8-3-1-2-7(16)4-8/h1-6,17H,(H,18,19)
InChIKeyQKFOUPAUKSYXTD-UHFFFAOYSA-N
MW364.18 g/mol
LogP3.63
Rot. Bonds4

About 2,3-dichloro-5-[(3-fluorophenyl)sulfamoyl]benzoic acid

2,3-dichloro-5-[(3-fluorophenyl)sulfamoyl]benzoic acid (PubChem CID 71882393) has the molecular formula C13H8Cl2FNO4S and a molecular weight of 364.18 g/mol. Its IUPAC name is 2,3-dichloro-5-[(3-fluorophenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2,3-dichloro-5-[(3-fluorophenyl)sulfamoyl]benzoic acid
PubChem CID71882393
Molecular FormulaC13H8Cl2FNO4S
Molecular Weight364.18 g/mol
Exact Mass362.95
IUPAC Name2,3-dichloro-5-[(3-fluorophenyl)sulfamoyl]benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2cccc(F)c2)cc(Cl)c1Cl
InChIInChI=1S/C13H8Cl2FNO4S/c14-11-6-9(5-10(12(11)15)13(18)19)22(20,21)17-8-3-1-2-7(16)4-8/h1-6,17H,(H,18,19)
InChIKeyQKFOUPAUKSYXTD-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

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Related Compounds

2-chloro-5-[(3-fluorophenyl)sulfonylamino]benzoic acid
CID 51118457
3-(3,4-dichlorophenyl)sulfonyl-N-(3-fluorophenyl)benzenesulfonamide
CID 134089881
2-chloro-4-[(3-iodophenyl)sulfamoyl]benzoic acid
CID 103710305
5-[(3-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 54934258
6-amino-5-chloro-N-(3-fluorophenyl)pyridine-3-sulfonamide
CID 64608125
2-chloro-4-[[3-(difluoromethyl)phenyl]sulfamoyl]benzoic acid
CID 71870168
2-chloro-N-(3-fluorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46770118
5-[(3-fluorophenyl)sulfamoyl]-2-(4-methoxyphenyl)sulfanylbenzoic acid
CID 139368811
3-[(3,4-dichlorophenyl)sulfonylamino]benzoic acid
CID 2234493
N-[3-(benzenesulfonamido)phenyl]-2,3-dichlorobenzamide
CID 46474289
2-chloro-5-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid
CID 56828322
3-N-(3-fluorophenyl)-1-N-methylbenzene-1,3-disulfonamide
CID 49186407

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-5-[(3-fluorophenyl)sulfamoyl]benzoic acid?
The IUPAC name of 2,3-dichloro-5-[(3-fluorophenyl)sulfamoyl]benzoic acid (CID 71882393) is 2,3-dichloro-5-[(3-fluorophenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2,3-dichloro-5-[(3-fluorophenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 2,3-dichloro-5-[(3-fluorophenyl)sulfamoyl]benzoic acid is O=C(O)c1cc(S(=O)(=O)Nc2cccc(F)c2)cc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-5-[(3-fluorophenyl)sulfamoyl]benzoic acid?
The InChIKey is QKFOUPAUKSYXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2FNO4S/c14-11-6-9(5-10(12(11)15)13(18)19)22(20,21)17-8-3-1-2-7(16)4-8/h1-6,17H,(H,18,19).
What are the key properties of 2,3-dichloro-5-[(3-fluorophenyl)sulfamoyl]benzoic acid?
2,3-dichloro-5-[(3-fluorophenyl)sulfamoyl]benzoic 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 2,3-dichloro-5-[(3-fluorophenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 71882393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).