4-bromo-N-(4-bromo-2,6-dimethylphenyl)-2-sulfanylbenzamide

C15H13Br2NOS — CID 107031288

IUPAC4-bromo-N-(4-bromo-2,6-dimethylphenyl)-2-sulfanylbenzamide
SMILESCc1cc(Br)cc(C)c1NC(=O)c1ccc(Br)cc1S
InChIInChI=1S/C15H13Br2NOS/c1-8-5-11(17)6-9(2)14(8)18-15(19)12-4-3-10(16)7-13(12)20/h3-7,20H,1-2H3,(H,18,19)
InChIKeyGCSSNCJNAYJIFA-UHFFFAOYSA-N
MW415.15 g/mol
LogP5.37
Rot. Bonds2

About 4-bromo-N-(4-bromo-2,6-dimethylphenyl)-2-sulfanylbenzamide

4-bromo-N-(4-bromo-2,6-dimethylphenyl)-2-sulfanylbenzamide (PubChem CID 107031288) has the molecular formula C15H13Br2NOS and a molecular weight of 415.15 g/mol. Its IUPAC name is 4-bromo-N-(4-bromo-2,6-dimethylphenyl)-2-sulfanylbenzamide.

Molecular Properties

Compound Name4-bromo-N-(4-bromo-2,6-dimethylphenyl)-2-sulfanylbenzamide
PubChem CID107031288
Molecular FormulaC15H13Br2NOS
Molecular Weight415.15 g/mol
Exact Mass412.91
IUPAC Name4-bromo-N-(4-bromo-2,6-dimethylphenyl)-2-sulfanylbenzamide
SMILESCc1cc(Br)cc(C)c1NC(=O)c1ccc(Br)cc1S
InChIInChI=1S/C15H13Br2NOS/c1-8-5-11(17)6-9(2)14(8)18-15(19)12-4-3-10(16)7-13(12)20/h3-7,20H,1-2H3,(H,18,19)
InChIKeyGCSSNCJNAYJIFA-UHFFFAOYSA-N
XLogP5.37
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.15
LogP ≤ 55.37
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

4-bromo-N-(2,6-dichloro-3-methylphenyl)-2-sulfanylbenzamide
CID 107019931
2-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-fluorobenzamide
CID 28520538
N-(4-bromo-2-methylphenyl)-2-sulfanylbenzamide
CID 113220443
2-bromo-N-(4-bromo-2,6-dimethylphenyl)pyridine-3-carboxamide
CID 103758995
4-bromo-N-(4-ethylphenyl)-2-sulfanylbenzamide
CID 107021257
5-amino-N-(4-bromo-2,6-dimethylphenyl)-2,4-dimethylbenzamide
CID 102704950
5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzamide
CID 65307111
4-bromo-2-sulfanyl-N-thiophen-3-ylbenzamide
CID 107031810
4-bromo-N-(2,6-dimethylphenyl)-2-fluorobenzamide
CID 18089577
4-bromo-N-(2-iodophenyl)-2-sulfanylbenzamide
CID 107022135
4-bromo-N-(4-bromo-2-methylphenyl)-2-methylbenzamide
CID 43629933
3-amino-5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzamide
CID 107872047

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-bromo-2,6-dimethylphenyl)-2-sulfanylbenzamide?
The IUPAC name of 4-bromo-N-(4-bromo-2,6-dimethylphenyl)-2-sulfanylbenzamide (CID 107031288) is 4-bromo-N-(4-bromo-2,6-dimethylphenyl)-2-sulfanylbenzamide.
What is the SMILES notation for 4-bromo-N-(4-bromo-2,6-dimethylphenyl)-2-sulfanylbenzamide?
The canonical SMILES for 4-bromo-N-(4-bromo-2,6-dimethylphenyl)-2-sulfanylbenzamide is Cc1cc(Br)cc(C)c1NC(=O)c1ccc(Br)cc1S.
What is the InChIKey of 4-bromo-N-(4-bromo-2,6-dimethylphenyl)-2-sulfanylbenzamide?
The InChIKey is GCSSNCJNAYJIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2NOS/c1-8-5-11(17)6-9(2)14(8)18-15(19)12-4-3-10(16)7-13(12)20/h3-7,20H,1-2H3,(H,18,19).
What are the key properties of 4-bromo-N-(4-bromo-2,6-dimethylphenyl)-2-sulfanylbenzamide?
4-bromo-N-(4-bromo-2,6-dimethylphenyl)-2-sulfanylbenzamide has a molecular weight of 415.15 g/mol, XLogP of 5.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-bromo-2,6-dimethylphenyl)-2-sulfanylbenzamide is sourced from PubChem (CID 107031288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).