N-(3-chlorophenyl)-4-[(4-chlorophenyl)sulfanylmethyl]benzamide

C20H15Cl2NOS — CID 3097669

IUPACN-(3-chlorophenyl)-4-[(4-chlorophenyl)sulfanylmethyl]benzamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc(CSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H15Cl2NOS/c21-16-8-10-19(11-9-16)25-13-14-4-6-15(7-5-14)20(24)23-18-3-1-2-17(22)12-18/h1-12H,13H2,(H,23,24)
InChIKeyYTHCEPFSBCRETR-UHFFFAOYSA-N
MW388.32 g/mol
LogP6.54
Rot. Bonds5

About N-(3-chlorophenyl)-4-[(4-chlorophenyl)sulfanylmethyl]benzamide

N-(3-chlorophenyl)-4-[(4-chlorophenyl)sulfanylmethyl]benzamide (PubChem CID 3097669) has the molecular formula C20H15Cl2NOS and a molecular weight of 388.32 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-[(4-chlorophenyl)sulfanylmethyl]benzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-[(4-chlorophenyl)sulfanylmethyl]benzamide
PubChem CID3097669
Molecular FormulaC20H15Cl2NOS
Molecular Weight388.32 g/mol
Exact Mass387.03
IUPAC NameN-(3-chlorophenyl)-4-[(4-chlorophenyl)sulfanylmethyl]benzamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc(CSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H15Cl2NOS/c21-16-8-10-19(11-9-16)25-13-14-4-6-15(7-5-14)20(24)23-18-3-1-2-17(22)12-18/h1-12H,13H2,(H,23,24)
InChIKeyYTHCEPFSBCRETR-UHFFFAOYSA-N
XLogP6.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.32
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(benzylsulfanylmethyl)-N-(3-chlorophenyl)benzamide
CID 2271018
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide
CID 126414840
N-[3-(hydroxymethyl)phenyl]-4-(phenylsulfanylmethyl)benzamide
CID 112766684
4-[(4-chlorophenyl)sulfanylmethyl]-N-[4-(cyclopropylcarbamoyl)phenyl]benzamide
CID 46553938
4-[(4-chlorophenyl)sulfanylmethyl]-N-(4-ethoxyphenyl)benzamide
CID 3097680
N-(3-methoxyphenyl)-4-[(4-methylphenyl)sulfanylmethyl]benzamide
CID 1289534
N-(3-chloro-4-methylphenyl)-4-(phenylsulfanylmethyl)benzamide
CID 2284612
N-(3-chlorophenyl)-4-(nitromethyl)benzamide
CID 57301971
N-(3-chlorophenyl)-4-propan-2-ylbenzamide
CID 1406456
4-[(4-methylphenyl)sulfanylmethyl]-N-(3-nitrophenyl)benzamide
CID 1255671
4-[(4-chlorophenyl)sulfanylmethyl]-N-propan-2-ylbenzamide
CID 27648094
N-tert-butyl-4-[(4-chlorophenyl)sulfanylmethyl]benzamide
CID 7987976

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-[(4-chlorophenyl)sulfanylmethyl]benzamide?
The IUPAC name of N-(3-chlorophenyl)-4-[(4-chlorophenyl)sulfanylmethyl]benzamide (CID 3097669) is N-(3-chlorophenyl)-4-[(4-chlorophenyl)sulfanylmethyl]benzamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-[(4-chlorophenyl)sulfanylmethyl]benzamide?
The canonical SMILES for N-(3-chlorophenyl)-4-[(4-chlorophenyl)sulfanylmethyl]benzamide is O=C(Nc1cccc(Cl)c1)c1ccc(CSc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-4-[(4-chlorophenyl)sulfanylmethyl]benzamide?
The InChIKey is YTHCEPFSBCRETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2NOS/c21-16-8-10-19(11-9-16)25-13-14-4-6-15(7-5-14)20(24)23-18-3-1-2-17(22)12-18/h1-12H,13H2,(H,23,24).
What are the key properties of N-(3-chlorophenyl)-4-[(4-chlorophenyl)sulfanylmethyl]benzamide?
N-(3-chlorophenyl)-4-[(4-chlorophenyl)sulfanylmethyl]benzamide has a molecular weight of 388.32 g/mol, XLogP of 6.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-[(4-chlorophenyl)sulfanylmethyl]benzamide is sourced from PubChem (CID 3097669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).