N-(4-chlorophenyl)-5-fluoro-2-sulfanylbenzamide

C13H9ClFNOS — CID 70678515

IUPACN-(4-chlorophenyl)-5-fluoro-2-sulfanylbenzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cc(F)ccc1S
InChIInChI=1S/C13H9ClFNOS/c14-8-1-4-10(5-2-8)16-13(17)11-7-9(15)3-6-12(11)18/h1-7,18H,(H,16,17)
InChIKeyYQCRKYJOGOHHPZ-UHFFFAOYSA-N
MW281.74 g/mol
LogP4.02
Rot. Bonds2

About N-(4-chlorophenyl)-5-fluoro-2-sulfanylbenzamide

N-(4-chlorophenyl)-5-fluoro-2-sulfanylbenzamide (PubChem CID 70678515) has the molecular formula C13H9ClFNOS and a molecular weight of 281.74 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-fluoro-2-sulfanylbenzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-fluoro-2-sulfanylbenzamide
PubChem CID70678515
Molecular FormulaC13H9ClFNOS
Molecular Weight281.74 g/mol
Exact Mass281.01
IUPAC NameN-(4-chlorophenyl)-5-fluoro-2-sulfanylbenzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cc(F)ccc1S
InChIInChI=1S/C13H9ClFNOS/c14-8-1-4-10(5-2-8)16-13(17)11-7-9(15)3-6-12(11)18/h1-7,18H,(H,16,17)
InChIKeyYQCRKYJOGOHHPZ-UHFFFAOYSA-N
XLogP4.02
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-5-fluoro-2-methylbenzamide
CID 34753639
4-chloro-2-fluoro-N-(4-fluorophenyl)benzamide
CID 26687726
N-[4-(chloromethyl)phenyl]-2,5-difluorobenzamide
CID 114299996
N-(4-chlorophenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206260
2-amino-5-chloro-N-(4-fluorophenyl)benzamide
CID 6481536
2,5-difluoro-N-(4-methylsulfanylphenyl)benzamide
CID 42370376
N-(4-chlorophenyl)-5-fluoro-2-[4-isocyano-3-(trifluoromethyl)phenyl]benzamide
CID 20824791
N-(3-bromo-4-fluorophenyl)-2,5-difluorobenzamide
CID 115661483
4-[[2-[(4-chlorophenyl)sulfonylamino]-5-fluorobenzoyl]amino]benzoic acid
CID 12017247
2,5-difluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzamide
CID 28560319
2,5-difluoro-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 78802909
5-fluoro-2-sulfanylbenzoyl chloride
CID 141364500

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-fluoro-2-sulfanylbenzamide?
The IUPAC name of N-(4-chlorophenyl)-5-fluoro-2-sulfanylbenzamide (CID 70678515) is N-(4-chlorophenyl)-5-fluoro-2-sulfanylbenzamide.
What is the SMILES notation for N-(4-chlorophenyl)-5-fluoro-2-sulfanylbenzamide?
The canonical SMILES for N-(4-chlorophenyl)-5-fluoro-2-sulfanylbenzamide is O=C(Nc1ccc(Cl)cc1)c1cc(F)ccc1S.
What is the InChIKey of N-(4-chlorophenyl)-5-fluoro-2-sulfanylbenzamide?
The InChIKey is YQCRKYJOGOHHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNOS/c14-8-1-4-10(5-2-8)16-13(17)11-7-9(15)3-6-12(11)18/h1-7,18H,(H,16,17).
What are the key properties of N-(4-chlorophenyl)-5-fluoro-2-sulfanylbenzamide?
N-(4-chlorophenyl)-5-fluoro-2-sulfanylbenzamide has a molecular weight of 281.74 g/mol, XLogP of 4.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-fluoro-2-sulfanylbenzamide is sourced from PubChem (CID 70678515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).