N-(3-chlorophenyl)-3-(methylsulfanylmethyl)benzamide

C15H14ClNOS — CID 8777105

IUPACN-(3-chlorophenyl)-3-(methylsulfanylmethyl)benzamide
SMILESCSCc1cccc(C(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C15H14ClNOS/c1-19-10-11-4-2-5-12(8-11)15(18)17-14-7-3-6-13(16)9-14/h2-9H,10H2,1H3,(H,17,18)
InChIKeyPOEYNXQCZBQHCG-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.46
Rot. Bonds4

About N-(3-chlorophenyl)-3-(methylsulfanylmethyl)benzamide

N-(3-chlorophenyl)-3-(methylsulfanylmethyl)benzamide (PubChem CID 8777105) has the molecular formula C15H14ClNOS and a molecular weight of 291.80 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-(methylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-(methylsulfanylmethyl)benzamide
PubChem CID8777105
Molecular FormulaC15H14ClNOS
Molecular Weight291.80 g/mol
Exact Mass291.05
IUPAC NameN-(3-chlorophenyl)-3-(methylsulfanylmethyl)benzamide
SMILESCSCc1cccc(C(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C15H14ClNOS/c1-19-10-11-4-2-5-12(8-11)15(18)17-14-7-3-6-13(16)9-14/h2-9H,10H2,1H3,(H,17,18)
InChIKeyPOEYNXQCZBQHCG-UHFFFAOYSA-N
XLogP4.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-acetamidophenyl)-3-chlorobenzamide
CID 669190
3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
3-(2-amino-2-sulfanylideneethyl)-N-(3-chlorophenyl)benzamide
CID 82179528
4-(benzylsulfanylmethyl)-N-(3-chlorophenyl)benzamide
CID 2271018
3-(methylsulfanylmethyl)-N-(4-sulfamoylphenyl)benzamide
CID 9035038
3-N-(3-chlorophenyl)benzene-1,3-dicarboxamide
CID 35554073
N-(3-acetylphenyl)-3-(chloromethyl)benzamide
CID 43346840
N-ethyl-3-(methylsulfanylmethyl)benzamide
CID 60667675
3-chloro-N-(3-methylphenyl)benzamide
CID 722373
3-[[3-[(3-chlorobenzoyl)amino]benzoyl]amino]benzoate
CID 3383614
N-(3-chlorophenyl)-3-(dimethylamino)benzamide
CID 690525
3-(methylsulfanylmethyl)benzoate
CID 7129113

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-(methylsulfanylmethyl)benzamide?
The IUPAC name of N-(3-chlorophenyl)-3-(methylsulfanylmethyl)benzamide (CID 8777105) is N-(3-chlorophenyl)-3-(methylsulfanylmethyl)benzamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-(methylsulfanylmethyl)benzamide?
The canonical SMILES for N-(3-chlorophenyl)-3-(methylsulfanylmethyl)benzamide is CSCc1cccc(C(=O)Nc2cccc(Cl)c2)c1.
What is the InChIKey of N-(3-chlorophenyl)-3-(methylsulfanylmethyl)benzamide?
The InChIKey is POEYNXQCZBQHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNOS/c1-19-10-11-4-2-5-12(8-11)15(18)17-14-7-3-6-13(16)9-14/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of N-(3-chlorophenyl)-3-(methylsulfanylmethyl)benzamide?
N-(3-chlorophenyl)-3-(methylsulfanylmethyl)benzamide has a molecular weight of 291.80 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-(methylsulfanylmethyl)benzamide is sourced from PubChem (CID 8777105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).