N-(3-bromo-4-fluorophenyl)-2-fluoro-5-sulfanylbenzamide

C13H8BrF2NOS — CID 107034981

IUPACN-(3-bromo-4-fluorophenyl)-2-fluoro-5-sulfanylbenzamide
SMILESO=C(Nc1ccc(F)c(Br)c1)c1cc(S)ccc1F
InChIInChI=1S/C13H8BrF2NOS/c14-10-5-7(1-3-12(10)16)17-13(18)9-6-8(19)2-4-11(9)15/h1-6,19H,(H,17,18)
InChIKeyWFCFSHUNJYYCKX-UHFFFAOYSA-N
MW344.18 g/mol
LogP4.27
Rot. Bonds2

About N-(3-bromo-4-fluorophenyl)-2-fluoro-5-sulfanylbenzamide

N-(3-bromo-4-fluorophenyl)-2-fluoro-5-sulfanylbenzamide (PubChem CID 107034981) has the molecular formula C13H8BrF2NOS and a molecular weight of 344.18 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)-2-fluoro-5-sulfanylbenzamide.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)-2-fluoro-5-sulfanylbenzamide
PubChem CID107034981
Molecular FormulaC13H8BrF2NOS
Molecular Weight344.18 g/mol
Exact Mass342.95
IUPAC NameN-(3-bromo-4-fluorophenyl)-2-fluoro-5-sulfanylbenzamide
SMILESO=C(Nc1ccc(F)c(Br)c1)c1cc(S)ccc1F
InChIInChI=1S/C13H8BrF2NOS/c14-10-5-7(1-3-12(10)16)17-13(18)9-6-8(19)2-4-11(9)15/h1-6,19H,(H,17,18)
InChIKeyWFCFSHUNJYYCKX-UHFFFAOYSA-N
XLogP4.27
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.18
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-bromo-4-fluorophenyl)-2-fluoro-5-sulfanylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-bromo-4-fluorophenyl)-2,5-difluorobenzamide
CID 115661483
N-(5-bromo-4-fluoro-2-methylphenyl)-2-fluoro-5-sulfanylbenzamide
CID 107590334
N-(3-chloro-4-methylphenyl)-2-fluoro-5-sulfanylbenzamide
CID 107019764
N-(4-bromo-3-chlorophenyl)-5-chloro-2-fluorobenzamide
CID 107619744
2-chloro-N-(3,4-difluorophenyl)-5-sulfanylbenzamide
CID 107020863
5-bromo-N-(4-bromo-3-fluorophenyl)-2-fluorobenzamide
CID 65438137
N-(3-bromo-4-fluorophenyl)-4-chloro-2-methylbenzamide
CID 114027991
2-bromo-N-(3-bromo-4-methylphenyl)-5-sulfanylbenzamide
CID 107029742
2-fluoro-N-pyridin-3-yl-5-sulfanylbenzamide
CID 107019647
N-(3-bromo-4-fluorophenyl)-2-hydrazinylbenzamide
CID 113452479
2-bromo-N-naphthalen-2-yl-5-sulfanylbenzamide
CID 107027137
2-bromo-5-sulfanyl-N-(2,3,4-trifluorophenyl)benzamide
CID 107020290

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)-2-fluoro-5-sulfanylbenzamide?
The IUPAC name of N-(3-bromo-4-fluorophenyl)-2-fluoro-5-sulfanylbenzamide (CID 107034981) is N-(3-bromo-4-fluorophenyl)-2-fluoro-5-sulfanylbenzamide.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)-2-fluoro-5-sulfanylbenzamide?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)-2-fluoro-5-sulfanylbenzamide is O=C(Nc1ccc(F)c(Br)c1)c1cc(S)ccc1F.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)-2-fluoro-5-sulfanylbenzamide?
The InChIKey is WFCFSHUNJYYCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF2NOS/c14-10-5-7(1-3-12(10)16)17-13(18)9-6-8(19)2-4-11(9)15/h1-6,19H,(H,17,18).
What are the key properties of N-(3-bromo-4-fluorophenyl)-2-fluoro-5-sulfanylbenzamide?
N-(3-bromo-4-fluorophenyl)-2-fluoro-5-sulfanylbenzamide has a molecular weight of 344.18 g/mol, XLogP of 4.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-fluorophenyl)-2-fluoro-5-sulfanylbenzamide is sourced from PubChem (CID 107034981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).