N-(5-bromo-4-fluoro-2-methylphenyl)-2-fluoro-5-sulfanylbenzamide

C14H10BrF2NOS — CID 107590334

IUPACN-(5-bromo-4-fluoro-2-methylphenyl)-2-fluoro-5-sulfanylbenzamide
SMILESCc1cc(F)c(Br)cc1NC(=O)c1cc(S)ccc1F
InChIInChI=1S/C14H10BrF2NOS/c1-7-4-12(17)10(15)6-13(7)18-14(19)9-5-8(20)2-3-11(9)16/h2-6,20H,1H3,(H,18,19)
InChIKeyMVBYKAPKKGVNKK-UHFFFAOYSA-N
MW358.21 g/mol
LogP4.58
Rot. Bonds2

About N-(5-bromo-4-fluoro-2-methylphenyl)-2-fluoro-5-sulfanylbenzamide

N-(5-bromo-4-fluoro-2-methylphenyl)-2-fluoro-5-sulfanylbenzamide (PubChem CID 107590334) has the molecular formula C14H10BrF2NOS and a molecular weight of 358.21 g/mol. Its IUPAC name is N-(5-bromo-4-fluoro-2-methylphenyl)-2-fluoro-5-sulfanylbenzamide.

Molecular Properties

Compound NameN-(5-bromo-4-fluoro-2-methylphenyl)-2-fluoro-5-sulfanylbenzamide
PubChem CID107590334
Molecular FormulaC14H10BrF2NOS
Molecular Weight358.21 g/mol
Exact Mass356.96
IUPAC NameN-(5-bromo-4-fluoro-2-methylphenyl)-2-fluoro-5-sulfanylbenzamide
SMILESCc1cc(F)c(Br)cc1NC(=O)c1cc(S)ccc1F
InChIInChI=1S/C14H10BrF2NOS/c1-7-4-12(17)10(15)6-13(7)18-14(19)9-5-8(20)2-3-11(9)16/h2-6,20H,1H3,(H,18,19)
InChIKeyMVBYKAPKKGVNKK-UHFFFAOYSA-N
XLogP4.58
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.21
LogP ≤ 54.58
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-(2,4-dimethylphenyl)-2-fluoro-5-sulfanylbenzamide
CID 107020951
2-fluoro-N-(4-fluoro-2-methylphenyl)-5-sulfanylbenzamide
CID 107021333
N-(3-bromo-4-fluorophenyl)-2-fluoro-5-sulfanylbenzamide
CID 107034981
N-(5-bromo-4-fluoro-2-methylphenyl)-6-methylpyridine-2-carboxamide
CID 103274644
2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-3-fluorobenzamide
CID 107592257
2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-5-methoxybenzamide
CID 103274988
4-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzamide
CID 107592498
N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 103274927
N-(5-bromo-4-fluoro-2-methylphenyl)-4-chloropyridine-3-carboxamide
CID 103280869
2-bromo-5-sulfanyl-N-(2,3,4-trifluorophenyl)benzamide
CID 107020290
5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-4-methylthiophene-2-carboxamide
CID 107592608
2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide
CID 107591747

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-2-fluoro-5-sulfanylbenzamide?
The IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-2-fluoro-5-sulfanylbenzamide (CID 107590334) is N-(5-bromo-4-fluoro-2-methylphenyl)-2-fluoro-5-sulfanylbenzamide.
What is the SMILES notation for N-(5-bromo-4-fluoro-2-methylphenyl)-2-fluoro-5-sulfanylbenzamide?
The canonical SMILES for N-(5-bromo-4-fluoro-2-methylphenyl)-2-fluoro-5-sulfanylbenzamide is Cc1cc(F)c(Br)cc1NC(=O)c1cc(S)ccc1F.
What is the InChIKey of N-(5-bromo-4-fluoro-2-methylphenyl)-2-fluoro-5-sulfanylbenzamide?
The InChIKey is MVBYKAPKKGVNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2NOS/c1-7-4-12(17)10(15)6-13(7)18-14(19)9-5-8(20)2-3-11(9)16/h2-6,20H,1H3,(H,18,19).
What are the key properties of N-(5-bromo-4-fluoro-2-methylphenyl)-2-fluoro-5-sulfanylbenzamide?
N-(5-bromo-4-fluoro-2-methylphenyl)-2-fluoro-5-sulfanylbenzamide has a molecular weight of 358.21 g/mol, XLogP of 4.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-fluoro-2-methylphenyl)-2-fluoro-5-sulfanylbenzamide is sourced from PubChem (CID 107590334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).