N-(4-bromo-3-chlorophenyl)-4-sulfanylbenzamide

C13H9BrClNOS — CID 107617517

IUPACN-(4-bromo-3-chlorophenyl)-4-sulfanylbenzamide
SMILESO=C(Nc1ccc(Br)c(Cl)c1)c1ccc(S)cc1
InChIInChI=1S/C13H9BrClNOS/c14-11-6-3-9(7-12(11)15)16-13(17)8-1-4-10(18)5-2-8/h1-7,18H,(H,16,17)
InChIKeyXWWVOGRVEWIGOC-UHFFFAOYSA-N
MW342.65 g/mol
LogP4.64
Rot. Bonds2

About N-(4-bromo-3-chlorophenyl)-4-sulfanylbenzamide

N-(4-bromo-3-chlorophenyl)-4-sulfanylbenzamide (PubChem CID 107617517) has the molecular formula C13H9BrClNOS and a molecular weight of 342.65 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-4-sulfanylbenzamide.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-4-sulfanylbenzamide
PubChem CID107617517
Molecular FormulaC13H9BrClNOS
Molecular Weight342.65 g/mol
Exact Mass340.93
IUPAC NameN-(4-bromo-3-chlorophenyl)-4-sulfanylbenzamide
SMILESO=C(Nc1ccc(Br)c(Cl)c1)c1ccc(S)cc1
InChIInChI=1S/C13H9BrClNOS/c14-11-6-3-9(7-12(11)15)16-13(17)8-1-4-10(18)5-2-8/h1-7,18H,(H,16,17)
InChIKeyXWWVOGRVEWIGOC-UHFFFAOYSA-N
XLogP4.64
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.65
LogP ≤ 54.64
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-3-chloro-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 80961600
4-bromo-3-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 81307032
N-(4-bromo-3-chlorophenyl)-3-chloro-4-iodobenzamide
CID 107613087
N-(4-bromo-3-chlorophenyl)-6-chloropyridine-3-carboxamide
CID 113278384
4-bromo-3-chloro-N-(3-chloro-4-methoxyphenyl)benzamide
CID 81307448
4-bromo-3-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 81295641
N-(4-bromo-3-chlorophenyl)-3-chloro-4-nitrobenzamide
CID 107619731
N-(4-bromo-3-chlorophenyl)-1-methylpyrazole-4-carboxamide
CID 103824882
4-bromo-N-(3-bromophenyl)-3-chlorobenzamide
CID 81295310
4-bromo-3-chloro-N-(4-chloro-3-cyanophenyl)benzamide
CID 81308168
4-bromo-3-chloro-N-(3-fluoro-4-hydroxyphenyl)benzamide
CID 81295822
4-bromo-N-(4-bromo-3-chlorophenyl)-1H-pyrrole-2-carboxamide
CID 107613080

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-4-sulfanylbenzamide?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-4-sulfanylbenzamide (CID 107617517) is N-(4-bromo-3-chlorophenyl)-4-sulfanylbenzamide.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-4-sulfanylbenzamide?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-4-sulfanylbenzamide is O=C(Nc1ccc(Br)c(Cl)c1)c1ccc(S)cc1.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-4-sulfanylbenzamide?
The InChIKey is XWWVOGRVEWIGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClNOS/c14-11-6-3-9(7-12(11)15)16-13(17)8-1-4-10(18)5-2-8/h1-7,18H,(H,16,17).
What are the key properties of N-(4-bromo-3-chlorophenyl)-4-sulfanylbenzamide?
N-(4-bromo-3-chlorophenyl)-4-sulfanylbenzamide has a molecular weight of 342.65 g/mol, XLogP of 4.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-chlorophenyl)-4-sulfanylbenzamide is sourced from PubChem (CID 107617517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).