4-bromo-N-(4-bromo-2-cyanophenyl)-2-sulfanylbenzamide

C14H8Br2N2OS — CID 107033617

IUPAC4-bromo-N-(4-bromo-2-cyanophenyl)-2-sulfanylbenzamide
SMILESN#Cc1cc(Br)ccc1NC(=O)c1ccc(Br)cc1S
InChIInChI=1S/C14H8Br2N2OS/c15-9-2-4-12(8(5-9)7-17)18-14(19)11-3-1-10(16)6-13(11)20/h1-6,20H,(H,18,19)
InChIKeyWMVFAJGNKCNCJZ-UHFFFAOYSA-N
MW412.11 g/mol
LogP4.62
Rot. Bonds2

About 4-bromo-N-(4-bromo-2-cyanophenyl)-2-sulfanylbenzamide

4-bromo-N-(4-bromo-2-cyanophenyl)-2-sulfanylbenzamide (PubChem CID 107033617) has the molecular formula C14H8Br2N2OS and a molecular weight of 412.11 g/mol. Its IUPAC name is 4-bromo-N-(4-bromo-2-cyanophenyl)-2-sulfanylbenzamide.

Molecular Properties

Compound Name4-bromo-N-(4-bromo-2-cyanophenyl)-2-sulfanylbenzamide
PubChem CID107033617
Molecular FormulaC14H8Br2N2OS
Molecular Weight412.11 g/mol
Exact Mass409.87
IUPAC Name4-bromo-N-(4-bromo-2-cyanophenyl)-2-sulfanylbenzamide
SMILESN#Cc1cc(Br)ccc1NC(=O)c1ccc(Br)cc1S
InChIInChI=1S/C14H8Br2N2OS/c15-9-2-4-12(8(5-9)7-17)18-14(19)11-3-1-10(16)6-13(11)20/h1-6,20H,(H,18,19)
InChIKeyWMVFAJGNKCNCJZ-UHFFFAOYSA-N
XLogP4.62
TPSA52.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.11
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(4-bromo-2-cyanophenyl)-5-sulfanylbenzamide
CID 107033611
2,4-diamino-N-(4-bromo-2-cyanophenyl)benzamide
CID 82702808
4-bromo-N-(4-cyano-2-fluorophenyl)-2-sulfanylbenzamide
CID 107033218
N-(4-bromo-2-cyanophenyl)-4-fluoro-2-hydroxybenzamide
CID 107014840
N-(4-amino-2-cyanophenyl)-2,5-dibromobenzamide
CID 114367683
N-(4-bromo-2-cyanophenyl)-4-cyanobenzamide
CID 81498291
5-amino-N-(4-bromo-2-cyanophenyl)-2,3-dichlorobenzamide
CID 107185689
2-amino-5-bromo-N-(4-bromo-2-cyanophenyl)pyridine-3-carboxamide
CID 82703881
(4-bromo-2-cyanophenyl)urea
CID 82708837
N-(4-bromo-2-cyanophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 82704103
N-(4-bromo-2-cyanophenyl)pyridine-3-carboxamide
CID 82708795
4-bromo-N-(2-iodophenyl)-2-sulfanylbenzamide
CID 107022135

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-bromo-2-cyanophenyl)-2-sulfanylbenzamide?
The IUPAC name of 4-bromo-N-(4-bromo-2-cyanophenyl)-2-sulfanylbenzamide (CID 107033617) is 4-bromo-N-(4-bromo-2-cyanophenyl)-2-sulfanylbenzamide.
What is the SMILES notation for 4-bromo-N-(4-bromo-2-cyanophenyl)-2-sulfanylbenzamide?
The canonical SMILES for 4-bromo-N-(4-bromo-2-cyanophenyl)-2-sulfanylbenzamide is N#Cc1cc(Br)ccc1NC(=O)c1ccc(Br)cc1S.
What is the InChIKey of 4-bromo-N-(4-bromo-2-cyanophenyl)-2-sulfanylbenzamide?
The InChIKey is WMVFAJGNKCNCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2N2OS/c15-9-2-4-12(8(5-9)7-17)18-14(19)11-3-1-10(16)6-13(11)20/h1-6,20H,(H,18,19).
What are the key properties of 4-bromo-N-(4-bromo-2-cyanophenyl)-2-sulfanylbenzamide?
4-bromo-N-(4-bromo-2-cyanophenyl)-2-sulfanylbenzamide has a molecular weight of 412.11 g/mol, XLogP of 4.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-bromo-2-cyanophenyl)-2-sulfanylbenzamide is sourced from PubChem (CID 107033617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).