N-[4-(2-chlorophenyl)sulfanylphenyl]-4-fluorobenzamide

C19H13ClFNOS — CID 3729612

IUPACN-[4-(2-chlorophenyl)sulfanylphenyl]-4-fluorobenzamide
SMILESO=C(Nc1ccc(Sc2ccccc2Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H13ClFNOS/c20-17-3-1-2-4-18(17)24-16-11-9-15(10-12-16)22-19(23)13-5-7-14(21)8-6-13/h1-12H,(H,22,23)
InChIKeyFMUIZIDUWBTLNA-UHFFFAOYSA-N
MW357.84 g/mol
LogP5.88
Rot. Bonds4

About N-[4-(2-chlorophenyl)sulfanylphenyl]-4-fluorobenzamide

N-[4-(2-chlorophenyl)sulfanylphenyl]-4-fluorobenzamide (PubChem CID 3729612) has the molecular formula C19H13ClFNOS and a molecular weight of 357.84 g/mol. Its IUPAC name is N-[4-(2-chlorophenyl)sulfanylphenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(2-chlorophenyl)sulfanylphenyl]-4-fluorobenzamide
PubChem CID3729612
Molecular FormulaC19H13ClFNOS
Molecular Weight357.84 g/mol
Exact Mass357.04
IUPAC NameN-[4-(2-chlorophenyl)sulfanylphenyl]-4-fluorobenzamide
SMILESO=C(Nc1ccc(Sc2ccccc2Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H13ClFNOS/c20-17-3-1-2-4-18(17)24-16-11-9-15(10-12-16)22-19(23)13-5-7-14(21)8-6-13/h1-12H,(H,22,23)
InChIKeyFMUIZIDUWBTLNA-UHFFFAOYSA-N
XLogP5.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.84
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chlorophenyl)sulfanylphenyl]-4-fluorobenzamide?
The IUPAC name of N-[4-(2-chlorophenyl)sulfanylphenyl]-4-fluorobenzamide (CID 3729612) is N-[4-(2-chlorophenyl)sulfanylphenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[4-(2-chlorophenyl)sulfanylphenyl]-4-fluorobenzamide?
The canonical SMILES for N-[4-(2-chlorophenyl)sulfanylphenyl]-4-fluorobenzamide is O=C(Nc1ccc(Sc2ccccc2Cl)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[4-(2-chlorophenyl)sulfanylphenyl]-4-fluorobenzamide?
The InChIKey is FMUIZIDUWBTLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFNOS/c20-17-3-1-2-4-18(17)24-16-11-9-15(10-12-16)22-19(23)13-5-7-14(21)8-6-13/h1-12H,(H,22,23).
What are the key properties of N-[4-(2-chlorophenyl)sulfanylphenyl]-4-fluorobenzamide?
N-[4-(2-chlorophenyl)sulfanylphenyl]-4-fluorobenzamide has a molecular weight of 357.84 g/mol, XLogP of 5.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chlorophenyl)sulfanylphenyl]-4-fluorobenzamide is sourced from PubChem (CID 3729612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).