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

C14H11BrFNOS — CID 107023428

IUPACN-(5-bromo-2-methylphenyl)-4-fluoro-3-sulfanylbenzamide
SMILESCc1ccc(Br)cc1NC(=O)c1ccc(F)c(S)c1
InChIInChI=1S/C14H11BrFNOS/c1-8-2-4-10(15)7-12(8)17-14(18)9-3-5-11(16)13(19)6-9/h2-7,19H,1H3,(H,17,18)
InChIKeyPPXLPQCFNVCMIB-UHFFFAOYSA-N
MW340.22 g/mol
LogP4.44
Rot. Bonds2

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

N-(5-bromo-2-methylphenyl)-4-fluoro-3-sulfanylbenzamide (PubChem CID 107023428) has the molecular formula C14H11BrFNOS and a molecular weight of 340.22 g/mol. Its IUPAC name is N-(5-bromo-2-methylphenyl)-4-fluoro-3-sulfanylbenzamide.

Molecular Properties

Compound NameN-(5-bromo-2-methylphenyl)-4-fluoro-3-sulfanylbenzamide
PubChem CID107023428
Molecular FormulaC14H11BrFNOS
Molecular Weight340.22 g/mol
Exact Mass338.97
IUPAC NameN-(5-bromo-2-methylphenyl)-4-fluoro-3-sulfanylbenzamide
SMILESCc1ccc(Br)cc1NC(=O)c1ccc(F)c(S)c1
InChIInChI=1S/C14H11BrFNOS/c1-8-2-4-10(15)7-12(8)17-14(18)9-3-5-11(16)13(19)6-9/h2-7,19H,1H3,(H,17,18)
InChIKeyPPXLPQCFNVCMIB-UHFFFAOYSA-N
XLogP4.44
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 54.44
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-(5-bromo-2-methylphenyl)-3-hydroxy-4-methylbenzamide
CID 43806148
N-(2-bromo-5-methylphenyl)-4-fluoro-3-sulfanylbenzamide
CID 107033697
N-(5-bromo-2-methylphenyl)-4-methylbenzamide
CID 43806352
4-amino-N-(5-bromo-2-fluorophenyl)-3-methylbenzamide
CID 43555167
4-bromo-N-(5-bromo-2-fluorophenyl)benzamide
CID 43555883
N-(5-bromo-2-methylphenyl)-3-iodobenzamide
CID 43806317
N-(4-bromo-2-fluorophenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 19062523
N-(4-bromo-2-ethylphenyl)-3-fluoro-4-methylbenzamide
CID 81291060
4-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzamide
CID 107592498
N-(5-bromo-2-fluorophenyl)-3,4-dihydroxybenzamide
CID 103955653
N-(5-bromo-2-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43806257
N-(4-bromo-2-methylphenyl)-3,4-dimethylbenzamide
CID 789005

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methylphenyl)-4-fluoro-3-sulfanylbenzamide?
The IUPAC name of N-(5-bromo-2-methylphenyl)-4-fluoro-3-sulfanylbenzamide (CID 107023428) is N-(5-bromo-2-methylphenyl)-4-fluoro-3-sulfanylbenzamide.
What is the SMILES notation for N-(5-bromo-2-methylphenyl)-4-fluoro-3-sulfanylbenzamide?
The canonical SMILES for N-(5-bromo-2-methylphenyl)-4-fluoro-3-sulfanylbenzamide is Cc1ccc(Br)cc1NC(=O)c1ccc(F)c(S)c1.
What is the InChIKey of N-(5-bromo-2-methylphenyl)-4-fluoro-3-sulfanylbenzamide?
The InChIKey is PPXLPQCFNVCMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNOS/c1-8-2-4-10(15)7-12(8)17-14(18)9-3-5-11(16)13(19)6-9/h2-7,19H,1H3,(H,17,18).
What are the key properties of N-(5-bromo-2-methylphenyl)-4-fluoro-3-sulfanylbenzamide?
N-(5-bromo-2-methylphenyl)-4-fluoro-3-sulfanylbenzamide has a molecular weight of 340.22 g/mol, XLogP of 4.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methylphenyl)-4-fluoro-3-sulfanylbenzamide is sourced from PubChem (CID 107023428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).