N-(2-chloro-5-cyanophenyl)-2-fluoro-5-sulfanylbenzamide

C14H8ClFN2OS — CID 107032756

IUPACN-(2-chloro-5-cyanophenyl)-2-fluoro-5-sulfanylbenzamide
SMILESN#Cc1ccc(Cl)c(NC(=O)c2cc(S)ccc2F)c1
InChIInChI=1S/C14H8ClFN2OS/c15-11-3-1-8(7-17)5-13(11)18-14(19)10-6-9(20)2-4-12(10)16/h1-6,20H,(H,18,19)
InChIKeyBPDJVAQWSFFZBM-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.89
Rot. Bonds2

About N-(2-chloro-5-cyanophenyl)-2-fluoro-5-sulfanylbenzamide

N-(2-chloro-5-cyanophenyl)-2-fluoro-5-sulfanylbenzamide (PubChem CID 107032756) has the molecular formula C14H8ClFN2OS and a molecular weight of 306.75 g/mol. Its IUPAC name is N-(2-chloro-5-cyanophenyl)-2-fluoro-5-sulfanylbenzamide.

Molecular Properties

Compound NameN-(2-chloro-5-cyanophenyl)-2-fluoro-5-sulfanylbenzamide
PubChem CID107032756
Molecular FormulaC14H8ClFN2OS
Molecular Weight306.75 g/mol
Exact Mass306.00
IUPAC NameN-(2-chloro-5-cyanophenyl)-2-fluoro-5-sulfanylbenzamide
SMILESN#Cc1ccc(Cl)c(NC(=O)c2cc(S)ccc2F)c1
InChIInChI=1S/C14H8ClFN2OS/c15-11-3-1-8(7-17)5-13(11)18-14(19)10-6-9(20)2-4-12(10)16/h1-6,20H,(H,18,19)
InChIKeyBPDJVAQWSFFZBM-UHFFFAOYSA-N
XLogP3.89
TPSA52.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(2-chloro-5-cyanophenyl)-5-sulfanylbenzamide
CID 107032754
2,5-dichloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 103799731
2-amino-5-chloro-N-(2-chloro-5-cyanophenyl)pyridine-4-carboxamide
CID 114924132
N-(2-chloro-5-cyanophenyl)-2,2-difluoroacetamide
CID 103513783
4-amino-N-(2-chloro-5-cyanophenyl)-6-methylpyridine-3-carboxamide
CID 81245335
5-chloro-N-(4-cyano-2-fluorophenyl)-2-methylbenzamide
CID 115532718
2-chloro-N-(3,4-difluorophenyl)-5-sulfanylbenzamide
CID 107020863
1-(2-chloro-5-cyanophenyl)-3-(3,5-dichlorophenyl)urea
CID 107653480
2-chloro-N-(2,5-difluoro-4-methylphenyl)-5-sulfanylbenzamide
CID 107037172
N-(5-bromo-2-cyanophenyl)-2-chloro-5-sulfanylbenzamide
CID 107801633
2-chloro-N-(3-chloro-5-fluorophenyl)-5-sulfanylbenzamide
CID 107370953
N-(2-bromo-5-chlorophenyl)-2-chloro-5-sulfanylbenzamide
CID 107033057

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-cyanophenyl)-2-fluoro-5-sulfanylbenzamide?
The IUPAC name of N-(2-chloro-5-cyanophenyl)-2-fluoro-5-sulfanylbenzamide (CID 107032756) is N-(2-chloro-5-cyanophenyl)-2-fluoro-5-sulfanylbenzamide.
What is the SMILES notation for N-(2-chloro-5-cyanophenyl)-2-fluoro-5-sulfanylbenzamide?
The canonical SMILES for N-(2-chloro-5-cyanophenyl)-2-fluoro-5-sulfanylbenzamide is N#Cc1ccc(Cl)c(NC(=O)c2cc(S)ccc2F)c1.
What is the InChIKey of N-(2-chloro-5-cyanophenyl)-2-fluoro-5-sulfanylbenzamide?
The InChIKey is BPDJVAQWSFFZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClFN2OS/c15-11-3-1-8(7-17)5-13(11)18-14(19)10-6-9(20)2-4-12(10)16/h1-6,20H,(H,18,19).
What are the key properties of N-(2-chloro-5-cyanophenyl)-2-fluoro-5-sulfanylbenzamide?
N-(2-chloro-5-cyanophenyl)-2-fluoro-5-sulfanylbenzamide has a molecular weight of 306.75 g/mol, XLogP of 3.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-cyanophenyl)-2-fluoro-5-sulfanylbenzamide is sourced from PubChem (CID 107032756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).