2-bromo-N-(2-chloro-5-cyanophenyl)-5-sulfanylbenzamide

C14H8BrClN2OS — CID 107032754

IUPAC2-bromo-N-(2-chloro-5-cyanophenyl)-5-sulfanylbenzamide
SMILESN#Cc1ccc(Cl)c(NC(=O)c2cc(S)ccc2Br)c1
InChIInChI=1S/C14H8BrClN2OS/c15-11-3-2-9(20)6-10(11)14(19)18-13-5-8(7-17)1-4-12(13)16/h1-6,20H,(H,18,19)
InChIKeyRAXIKGPEHXHDMM-UHFFFAOYSA-N
MW367.66 g/mol
LogP4.52
Rot. Bonds2

About 2-bromo-N-(2-chloro-5-cyanophenyl)-5-sulfanylbenzamide

2-bromo-N-(2-chloro-5-cyanophenyl)-5-sulfanylbenzamide (PubChem CID 107032754) has the molecular formula C14H8BrClN2OS and a molecular weight of 367.66 g/mol. Its IUPAC name is 2-bromo-N-(2-chloro-5-cyanophenyl)-5-sulfanylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(2-chloro-5-cyanophenyl)-5-sulfanylbenzamide
PubChem CID107032754
Molecular FormulaC14H8BrClN2OS
Molecular Weight367.66 g/mol
Exact Mass365.92
IUPAC Name2-bromo-N-(2-chloro-5-cyanophenyl)-5-sulfanylbenzamide
SMILESN#Cc1ccc(Cl)c(NC(=O)c2cc(S)ccc2Br)c1
InChIInChI=1S/C14H8BrClN2OS/c15-11-3-2-9(20)6-10(11)14(19)18-13-5-8(7-17)1-4-12(13)16/h1-6,20H,(H,18,19)
InChIKeyRAXIKGPEHXHDMM-UHFFFAOYSA-N
XLogP4.52
TPSA52.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.66
LogP ≤ 54.52
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

N-(2-chloro-5-cyanophenyl)-2-fluoro-5-sulfanylbenzamide
CID 107032756
2-bromo-N-(4-bromo-2-cyanophenyl)-5-sulfanylbenzamide
CID 107033611
N-(5-bromo-2-cyanophenyl)-2-chloro-5-sulfanylbenzamide
CID 107801633
N-(2-bromo-5-chlorophenyl)-2-chloro-5-sulfanylbenzamide
CID 107033057
2,5-dibromo-N-(2-bromo-4-cyanophenyl)benzamide
CID 114371240
2-bromo-N-(2-cyano-3-fluorophenyl)-5-sulfanylbenzamide
CID 107023196
5-bromo-2-chloro-N-(5-cyano-2-methylphenyl)benzamide
CID 47475858
5-amino-2-bromo-N-(2-bromo-4-cyanophenyl)benzamide
CID 115297136
2-bromo-N-(3,4-dicyanophenyl)-5-sulfanylbenzamide
CID 107794539
2-amino-5-chloro-N-(2-chloro-5-cyanophenyl)pyridine-4-carboxamide
CID 114924132
4-amino-N-(2-chloro-5-cyanophenyl)-6-methylpyridine-3-carboxamide
CID 81245335
5-amino-N-(2-bromo-4-cyanophenyl)-2,3-dichlorobenzamide
CID 107796812

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-chloro-5-cyanophenyl)-5-sulfanylbenzamide?
The IUPAC name of 2-bromo-N-(2-chloro-5-cyanophenyl)-5-sulfanylbenzamide (CID 107032754) is 2-bromo-N-(2-chloro-5-cyanophenyl)-5-sulfanylbenzamide.
What is the SMILES notation for 2-bromo-N-(2-chloro-5-cyanophenyl)-5-sulfanylbenzamide?
The canonical SMILES for 2-bromo-N-(2-chloro-5-cyanophenyl)-5-sulfanylbenzamide is N#Cc1ccc(Cl)c(NC(=O)c2cc(S)ccc2Br)c1.
What is the InChIKey of 2-bromo-N-(2-chloro-5-cyanophenyl)-5-sulfanylbenzamide?
The InChIKey is RAXIKGPEHXHDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClN2OS/c15-11-3-2-9(20)6-10(11)14(19)18-13-5-8(7-17)1-4-12(13)16/h1-6,20H,(H,18,19).
What are the key properties of 2-bromo-N-(2-chloro-5-cyanophenyl)-5-sulfanylbenzamide?
2-bromo-N-(2-chloro-5-cyanophenyl)-5-sulfanylbenzamide has a molecular weight of 367.66 g/mol, XLogP of 4.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-chloro-5-cyanophenyl)-5-sulfanylbenzamide is sourced from PubChem (CID 107032754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).