4-[(2-chlorophenyl)sulfanylmethyl]benzamide

C14H12ClNOS — CID 27312045

IUPAC4-[(2-chlorophenyl)sulfanylmethyl]benzamide
SMILESNC(=O)c1ccc(CSc2ccccc2Cl)cc1
InChIInChI=1S/C14H12ClNOS/c15-12-3-1-2-4-13(12)18-9-10-5-7-11(8-6-10)14(16)17/h1-8H,9H2,(H2,16,17)
InChIKeyRNEISRTVPSVWAW-UHFFFAOYSA-N
MW277.78 g/mol
LogP3.73
Rot. Bonds4

About 4-[(2-chlorophenyl)sulfanylmethyl]benzamide

4-[(2-chlorophenyl)sulfanylmethyl]benzamide (PubChem CID 27312045) has the molecular formula C14H12ClNOS and a molecular weight of 277.78 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)sulfanylmethyl]benzamide.

Molecular Properties

Compound Name4-[(2-chlorophenyl)sulfanylmethyl]benzamide
PubChem CID27312045
Molecular FormulaC14H12ClNOS
Molecular Weight277.78 g/mol
Exact Mass277.03
IUPAC Name4-[(2-chlorophenyl)sulfanylmethyl]benzamide
SMILESNC(=O)c1ccc(CSc2ccccc2Cl)cc1
InChIInChI=1S/C14H12ClNOS/c15-12-3-1-2-4-13(12)18-9-10-5-7-11(8-6-10)14(16)17/h1-8H,9H2,(H2,16,17)
InChIKeyRNEISRTVPSVWAW-UHFFFAOYSA-N
XLogP3.73
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-amino-5-chlorophenyl)sulfanylmethyl]benzamide
CID 79528043
[4-[(2-chlorophenyl)sulfanylmethyl]phenyl]boronic acid
CID 54968884
4-[(2-chlorophenyl)sulfanylmethyl]-3-nitrobenzamide
CID 27312029
4-amino-3-benzylsulfanylbenzamide
CID 55189643
4-[(5-chloro-2-methoxyphenyl)sulfanylmethyl]benzamide
CID 91233787
4-[[3-[(2-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide
CID 24526797
[2-(4-carbamoylanilino)-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate
CID 35575333
4-[(4-bromophenyl)methylsulfanyl]benzamide
CID 101354416
4-[(1-tert-butyl-5-chloro-6-oxopyridazin-4-yl)sulfanylmethyl]benzamide
CID 168873537
4-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]benzamide
CID 35040288
methyl 4-[(2-aminophenyl)sulfanylmethyl]benzoate
CID 2741537
4-(2-phenylethyl)benzamide
CID 23130460

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)sulfanylmethyl]benzamide?
The IUPAC name of 4-[(2-chlorophenyl)sulfanylmethyl]benzamide (CID 27312045) is 4-[(2-chlorophenyl)sulfanylmethyl]benzamide.
What is the SMILES notation for 4-[(2-chlorophenyl)sulfanylmethyl]benzamide?
The canonical SMILES for 4-[(2-chlorophenyl)sulfanylmethyl]benzamide is NC(=O)c1ccc(CSc2ccccc2Cl)cc1.
What is the InChIKey of 4-[(2-chlorophenyl)sulfanylmethyl]benzamide?
The InChIKey is RNEISRTVPSVWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNOS/c15-12-3-1-2-4-13(12)18-9-10-5-7-11(8-6-10)14(16)17/h1-8H,9H2,(H2,16,17).
What are the key properties of 4-[(2-chlorophenyl)sulfanylmethyl]benzamide?
4-[(2-chlorophenyl)sulfanylmethyl]benzamide has a molecular weight of 277.78 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)sulfanylmethyl]benzamide is sourced from PubChem (CID 27312045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).