2-(3-chlorophenyl)sulfanyl-5-fluorobenzoic acid

C13H8ClFO2S — CID 63673346

IUPAC2-(3-chlorophenyl)sulfanyl-5-fluorobenzoic acid
SMILESO=C(O)c1cc(F)ccc1Sc1cccc(Cl)c1
InChIInChI=1S/C13H8ClFO2S/c14-8-2-1-3-10(6-8)18-12-5-4-9(15)7-11(12)13(16)17/h1-7H,(H,16,17)
InChIKeyWZOIOCKAYMRPMJ-UHFFFAOYSA-N
MW282.72 g/mol
LogP4.33
Rot. Bonds3

About 2-(3-chlorophenyl)sulfanyl-5-fluorobenzoic acid

2-(3-chlorophenyl)sulfanyl-5-fluorobenzoic acid (PubChem CID 63673346) has the molecular formula C13H8ClFO2S and a molecular weight of 282.72 g/mol. Its IUPAC name is 2-(3-chlorophenyl)sulfanyl-5-fluorobenzoic acid.

Molecular Properties

Compound Name2-(3-chlorophenyl)sulfanyl-5-fluorobenzoic acid
PubChem CID63673346
Molecular FormulaC13H8ClFO2S
Molecular Weight282.72 g/mol
Exact Mass281.99
IUPAC Name2-(3-chlorophenyl)sulfanyl-5-fluorobenzoic acid
SMILESO=C(O)c1cc(F)ccc1Sc1cccc(Cl)c1
InChIInChI=1S/C13H8ClFO2S/c14-8-2-1-3-10(6-8)18-12-5-4-9(15)7-11(12)13(16)17/h1-7H,(H,16,17)
InChIKeyWZOIOCKAYMRPMJ-UHFFFAOYSA-N
XLogP4.33
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.72
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-2-(3-chlorophenyl)sulfanylbenzoic acid
CID 62646131
2-(2-carboxy-5-chlorophenyl)sulfanyl-5-fluorobenzoic acid
CID 69044270
2-(4-bromophenyl)sulfanyl-5-fluorobenzoic acid
CID 63675209
2-(3-chlorophenyl)sulfanyl-5-fluorobenzonitrile
CID 55233121
[2-(3-chlorophenyl)sulfanyl-5-fluorophenyl]methanamine
CID 63674010
3-(3-chlorophenyl)sulfanyl-2-nitrobenzoic acid
CID 115542653
2-(3-chlorophenyl)-5-fluorobenzoic acid
CID 53211695
4-(3-chlorophenyl)sulfanyl-2-methylbenzoic acid
CID 81294140
4-(3-chlorophenyl)sulfanyl-3,5-difluorobenzoic acid
CID 63537040
3-(3-chlorophenyl)sulfanylbenzoic acid
CID 15727819
4-fluoro-2-(3-fluorophenyl)sulfanylbenzoyl chloride
CID 54468098
4-chloro-2-(3,4-difluorophenyl)sulfanylbenzoic acid
CID 63083044

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)sulfanyl-5-fluorobenzoic acid?
The IUPAC name of 2-(3-chlorophenyl)sulfanyl-5-fluorobenzoic acid (CID 63673346) is 2-(3-chlorophenyl)sulfanyl-5-fluorobenzoic acid.
What is the SMILES notation for 2-(3-chlorophenyl)sulfanyl-5-fluorobenzoic acid?
The canonical SMILES for 2-(3-chlorophenyl)sulfanyl-5-fluorobenzoic acid is O=C(O)c1cc(F)ccc1Sc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)sulfanyl-5-fluorobenzoic acid?
The InChIKey is WZOIOCKAYMRPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFO2S/c14-8-2-1-3-10(6-8)18-12-5-4-9(15)7-11(12)13(16)17/h1-7H,(H,16,17).
What are the key properties of 2-(3-chlorophenyl)sulfanyl-5-fluorobenzoic acid?
2-(3-chlorophenyl)sulfanyl-5-fluorobenzoic acid has a molecular weight of 282.72 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)sulfanyl-5-fluorobenzoic acid is sourced from PubChem (CID 63673346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).