N-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-3-sulfanylbenzamide

C13H7BrClF2NOS — CID 107617505

IUPACN-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-3-sulfanylbenzamide
SMILESO=C(Nc1c(Cl)cc(F)cc1Br)c1ccc(F)c(S)c1
InChIInChI=1S/C13H7BrClF2NOS/c14-8-4-7(16)5-9(15)12(8)18-13(19)6-1-2-10(17)11(20)3-6/h1-5,20H,(H,18,19)
InChIKeyYNYOAYUHFMYUDN-UHFFFAOYSA-N
MW378.63 g/mol
LogP4.92
Rot. Bonds2

About N-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-3-sulfanylbenzamide

N-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-3-sulfanylbenzamide (PubChem CID 107617505) has the molecular formula C13H7BrClF2NOS and a molecular weight of 378.63 g/mol. Its IUPAC name is N-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-3-sulfanylbenzamide.

Molecular Properties

Compound NameN-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-3-sulfanylbenzamide
PubChem CID107617505
Molecular FormulaC13H7BrClF2NOS
Molecular Weight378.63 g/mol
Exact Mass376.91
IUPAC NameN-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-3-sulfanylbenzamide
SMILESO=C(Nc1c(Cl)cc(F)cc1Br)c1ccc(F)c(S)c1
InChIInChI=1S/C13H7BrClF2NOS/c14-8-4-7(16)5-9(15)12(8)18-13(19)6-1-2-10(17)11(20)3-6/h1-5,20H,(H,18,19)
InChIKeyYNYOAYUHFMYUDN-UHFFFAOYSA-N
XLogP4.92
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.63
LogP ≤ 54.92
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-(2-bromo-6-chloro-4-fluorophenyl)-4-(bromomethyl)benzamide
CID 107610811
3-bromo-4-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide
CID 103878381
N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloropyridine-3-carboxamide
CID 103867801
N-(2-bromo-6-chloro-4-fluorophenyl)-4-nitrobenzamide
CID 103867738
N-(2-bromo-6-chloro-4-fluorophenyl)-5-chloro-2-hydroxybenzamide
CID 107470695
N-(2-chloro-6-methylphenyl)-4-fluoro-3-sulfanylbenzamide
CID 107031792
3-amino-N-(2,6-dichloro-4-fluorophenyl)-4-fluorobenzamide
CID 83076280
N-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-2-methylbenzamide
CID 107470648
N-(2-amino-4,6-difluorophenyl)-4-bromo-3-chlorobenzamide
CID 81313689
3-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-5-fluoro-4-methylbenzamide
CID 107608760
N-(4-amino-2,6-dibromophenyl)-3-chloro-4-fluorobenzamide
CID 82874501
4,5-dibromo-N-(2-bromo-6-chloro-4-fluorophenyl)thiophene-2-carboxamide
CID 107612502

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-3-sulfanylbenzamide?
The IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-3-sulfanylbenzamide (CID 107617505) is N-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-3-sulfanylbenzamide.
What is the SMILES notation for N-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-3-sulfanylbenzamide?
The canonical SMILES for N-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-3-sulfanylbenzamide is O=C(Nc1c(Cl)cc(F)cc1Br)c1ccc(F)c(S)c1.
What is the InChIKey of N-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-3-sulfanylbenzamide?
The InChIKey is YNYOAYUHFMYUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClF2NOS/c14-8-4-7(16)5-9(15)12(8)18-13(19)6-1-2-10(17)11(20)3-6/h1-5,20H,(H,18,19).
What are the key properties of N-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-3-sulfanylbenzamide?
N-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-3-sulfanylbenzamide has a molecular weight of 378.63 g/mol, XLogP of 4.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-3-sulfanylbenzamide is sourced from PubChem (CID 107617505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).