2-bromo-N-naphthalen-2-yl-5-sulfanylbenzamide

C17H12BrNOS — CID 107027137

IUPAC2-bromo-N-naphthalen-2-yl-5-sulfanylbenzamide
SMILESO=C(Nc1ccc2ccccc2c1)c1cc(S)ccc1Br
InChIInChI=1S/C17H12BrNOS/c18-16-8-7-14(21)10-15(16)17(20)19-13-6-5-11-3-1-2-4-12(11)9-13/h1-10,21H,(H,19,20)
InChIKeyARJAVIHRQLHDFK-UHFFFAOYSA-N
MW358.26 g/mol
LogP5.14
Rot. Bonds2

About 2-bromo-N-naphthalen-2-yl-5-sulfanylbenzamide

2-bromo-N-naphthalen-2-yl-5-sulfanylbenzamide (PubChem CID 107027137) has the molecular formula C17H12BrNOS and a molecular weight of 358.26 g/mol. Its IUPAC name is 2-bromo-N-naphthalen-2-yl-5-sulfanylbenzamide.

Molecular Properties

Compound Name2-bromo-N-naphthalen-2-yl-5-sulfanylbenzamide
PubChem CID107027137
Molecular FormulaC17H12BrNOS
Molecular Weight358.26 g/mol
Exact Mass356.98
IUPAC Name2-bromo-N-naphthalen-2-yl-5-sulfanylbenzamide
SMILESO=C(Nc1ccc2ccccc2c1)c1cc(S)ccc1Br
InChIInChI=1S/C17H12BrNOS/c18-16-8-7-14(21)10-15(16)17(20)19-13-6-5-11-3-1-2-4-12(11)9-13/h1-10,21H,(H,19,20)
InChIKeyARJAVIHRQLHDFK-UHFFFAOYSA-N
XLogP5.14
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.26
LogP ≤ 55.14
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

2-bromo-N-naphthalen-2-ylbenzamide
CID 4259663
2-bromo-N-(4-methoxyphenyl)-5-sulfanylbenzamide
CID 107019316
2-bromo-N-(3-bromo-4-methylphenyl)-5-sulfanylbenzamide
CID 107029742
2-bromo-N-(3,4-dimethoxyphenyl)-5-sulfanylbenzamide
CID 107020368
2-bromo-N-(3,4-dicyanophenyl)-5-sulfanylbenzamide
CID 107794539
2-bromo-N-(4-ethoxyphenyl)-5-sulfanylbenzamide
CID 107019829
2-bromo-N-(2-iodophenyl)-5-sulfanylbenzamide
CID 107022131
3-amino-4-bromo-N-naphthalen-2-ylbenzamide
CID 61116894
N-(3-bromo-4-fluorophenyl)-2-fluoro-5-sulfanylbenzamide
CID 107034981
N-naphthalen-2-ylcarbamoyl bromide
CID 115193346
4-amino-N-naphthalen-2-ylpyridine-3-carboxamide
CID 81240881
2-bromo-N-(2,3-dimethylphenyl)-5-sulfanylbenzamide
CID 107021458

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-naphthalen-2-yl-5-sulfanylbenzamide?
The IUPAC name of 2-bromo-N-naphthalen-2-yl-5-sulfanylbenzamide (CID 107027137) is 2-bromo-N-naphthalen-2-yl-5-sulfanylbenzamide.
What is the SMILES notation for 2-bromo-N-naphthalen-2-yl-5-sulfanylbenzamide?
The canonical SMILES for 2-bromo-N-naphthalen-2-yl-5-sulfanylbenzamide is O=C(Nc1ccc2ccccc2c1)c1cc(S)ccc1Br.
What is the InChIKey of 2-bromo-N-naphthalen-2-yl-5-sulfanylbenzamide?
The InChIKey is ARJAVIHRQLHDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrNOS/c18-16-8-7-14(21)10-15(16)17(20)19-13-6-5-11-3-1-2-4-12(11)9-13/h1-10,21H,(H,19,20).
What are the key properties of 2-bromo-N-naphthalen-2-yl-5-sulfanylbenzamide?
2-bromo-N-naphthalen-2-yl-5-sulfanylbenzamide has a molecular weight of 358.26 g/mol, XLogP of 5.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-naphthalen-2-yl-5-sulfanylbenzamide is sourced from PubChem (CID 107027137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).