2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-fluoro-5-methylsulfonylphenyl)acetamide

C16H15BrFNO3S2 — CID 34188677

IUPAC2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-fluoro-5-methylsulfonylphenyl)acetamide
SMILESCc1cc(Br)ccc1SCC(=O)Nc1cc(S(C)(=O)=O)ccc1F
InChIInChI=1S/C16H15BrFNO3S2/c1-10-7-11(17)3-6-15(10)23-9-16(20)19-14-8-12(24(2,21)22)4-5-13(14)18/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeySKFJMKNTLRRDPM-UHFFFAOYSA-N
MW432.34 g/mol
LogP4.03
Rot. Bonds5

About 2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-fluoro-5-methylsulfonylphenyl)acetamide

2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-fluoro-5-methylsulfonylphenyl)acetamide (PubChem CID 34188677) has the molecular formula C16H15BrFNO3S2 and a molecular weight of 432.34 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-fluoro-5-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-fluoro-5-methylsulfonylphenyl)acetamide
PubChem CID34188677
Molecular FormulaC16H15BrFNO3S2
Molecular Weight432.34 g/mol
Exact Mass430.97
IUPAC Name2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-fluoro-5-methylsulfonylphenyl)acetamide
SMILESCc1cc(Br)ccc1SCC(=O)Nc1cc(S(C)(=O)=O)ccc1F
InChIInChI=1S/C16H15BrFNO3S2/c1-10-7-11(17)3-6-15(10)23-9-16(20)19-14-8-12(24(2,21)22)4-5-13(14)18/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeySKFJMKNTLRRDPM-UHFFFAOYSA-N
XLogP4.03
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.34
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2-fluorophenyl)-3-[(4-bromophenyl)sulfonyl]propanamide
CID 4293410
N-(4-bromophenyl)-3-[(4-methylphenyl)sulfonyl]propanamide
CID 1303359
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(3-sulfamoylphenyl)acetamide
CID 4639270
3-[(4-bromophenyl)sulfonyl]-N-(2,6-dimethylphenyl)propanamide
CID 3457956
3-[(4-bromophenyl)sulfonyl]-N-(2-ethylphenyl)propanamide
CID 3457957
3-[(4-bromophenyl)sulfonyl]-N-(4-ethylphenyl)propanamide
CID 3457958
3-[(4-bromophenyl)sulfonyl]-N-(2-methylphenyl)propanamide
CID 4293413
3-[(4-bromophenyl)sulfonyl]-N-(3-methylphenyl)propanamide
CID 1343016
3-(4-Bromobenzenesulfonyl)-N-(2,4-dimethylphenyl)propanamide
CID 4085382
N-(4-Bromo-2-methylphenyl)-3-(4-methylbenzenesulfonyl)propanamide
CID 4101952
3-(4-bromophenyl)sulfonyl-N-(3-ethylphenyl)propanamide
CID 4104622
3-(4-bromophenyl)sulfonyl-N-(2,5-difluorophenyl)propanamide
CID 4639144

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-fluoro-5-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-fluoro-5-methylsulfonylphenyl)acetamide (CID 34188677) is 2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-fluoro-5-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-fluoro-5-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-fluoro-5-methylsulfonylphenyl)acetamide is Cc1cc(Br)ccc1SCC(=O)Nc1cc(S(C)(=O)=O)ccc1F.
What is the InChIKey of 2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-fluoro-5-methylsulfonylphenyl)acetamide?
The InChIKey is SKFJMKNTLRRDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO3S2/c1-10-7-11(17)3-6-15(10)23-9-16(20)19-14-8-12(24(2,21)22)4-5-13(14)18/h3-8H,9H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-fluoro-5-methylsulfonylphenyl)acetamide?
2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-fluoro-5-methylsulfonylphenyl)acetamide has a molecular weight of 432.34 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-fluoro-5-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 34188677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).