4-[(4-bromophenyl)methylsulfanyl]benzamide

C14H12BrNOS — CID 101354416

IUPAC4-[(4-bromophenyl)methylsulfanyl]benzamide
SMILESNC(=O)c1ccc(SCc2ccc(Br)cc2)cc1
InChIInChI=1S/C14H12BrNOS/c15-12-5-1-10(2-6-12)9-18-13-7-3-11(4-8-13)14(16)17/h1-8H,9H2,(H2,16,17)
InChIKeyZKZACZWHGJMUMD-UHFFFAOYSA-N
MW322.23 g/mol
LogP3.84
Rot. Bonds4

About 4-[(4-bromophenyl)methylsulfanyl]benzamide

4-[(4-bromophenyl)methylsulfanyl]benzamide (PubChem CID 101354416) has the molecular formula C14H12BrNOS and a molecular weight of 322.23 g/mol. Its IUPAC name is 4-[(4-bromophenyl)methylsulfanyl]benzamide.

Molecular Properties

Compound Name4-[(4-bromophenyl)methylsulfanyl]benzamide
PubChem CID101354416
Molecular FormulaC14H12BrNOS
Molecular Weight322.23 g/mol
Exact Mass320.98
IUPAC Name4-[(4-bromophenyl)methylsulfanyl]benzamide
SMILESNC(=O)c1ccc(SCc2ccc(Br)cc2)cc1
InChIInChI=1S/C14H12BrNOS/c15-12-5-1-10(2-6-12)9-18-13-7-3-11(4-8-13)14(16)17/h1-8H,9H2,(H2,16,17)
InChIKeyZKZACZWHGJMUMD-UHFFFAOYSA-N
XLogP3.84
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.23
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-acetamidophenyl)sulfanylmethyl]benzamide
CID 27355031
1-bromo-4-[(4-iodophenyl)methylsulfanyl]benzene
CID 65490747
4-[[3-[(4-bromophenyl)methylsulfanyl]-4-methyl-5-oxo-1,2,4-triazin-6-yl]amino]benzamide
CID 35755487
4-[(2-chlorophenyl)sulfanylmethyl]benzamide
CID 27312045
(4-bromophenyl)methyl-(4-carbamoylphenyl)-methylsulfanium
CID 101354414
5-[(4-bromophenyl)sulfanylmethyl]furan-2-carboxylic acid
CID 20992888
4-[2-(4-carbamoylphenyl)ethyl]benzamide
CID 14507735
4-aminosulfanylbenzamide
CID 22301586
ethyl 4-[(4-methylphenyl)sulfanylmethyl]benzoate
CID 14927153
N-hydroxy-4-(phenylsulfanylmethyl)benzamide
CID 135365964
4-[(4-formylphenyl)sulfanylmethyl]benzoic acid
CID 113384661
S-(4-benzylsulfanylphenyl) carbamothioate
CID 145451020

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)methylsulfanyl]benzamide?
The IUPAC name of 4-[(4-bromophenyl)methylsulfanyl]benzamide (CID 101354416) is 4-[(4-bromophenyl)methylsulfanyl]benzamide.
What is the SMILES notation for 4-[(4-bromophenyl)methylsulfanyl]benzamide?
The canonical SMILES for 4-[(4-bromophenyl)methylsulfanyl]benzamide is NC(=O)c1ccc(SCc2ccc(Br)cc2)cc1.
What is the InChIKey of 4-[(4-bromophenyl)methylsulfanyl]benzamide?
The InChIKey is ZKZACZWHGJMUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNOS/c15-12-5-1-10(2-6-12)9-18-13-7-3-11(4-8-13)14(16)17/h1-8H,9H2,(H2,16,17).
What are the key properties of 4-[(4-bromophenyl)methylsulfanyl]benzamide?
4-[(4-bromophenyl)methylsulfanyl]benzamide has a molecular weight of 322.23 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)methylsulfanyl]benzamide is sourced from PubChem (CID 101354416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).