N-(3-chlorophenyl)-2-ethylsulfanylbenzamide

C15H14ClNOS — CID 4631179

IUPACN-(3-chlorophenyl)-2-ethylsulfanylbenzamide
SMILESCCSc1ccccc1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H14ClNOS/c1-2-19-14-9-4-3-8-13(14)15(18)17-12-7-5-6-11(16)10-12/h3-10H,2H2,1H3,(H,17,18)
InChIKeyWSAVCEVIISJLSG-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.70
Rot. Bonds4

About N-(3-chlorophenyl)-2-ethylsulfanylbenzamide

N-(3-chlorophenyl)-2-ethylsulfanylbenzamide (PubChem CID 4631179) has the molecular formula C15H14ClNOS and a molecular weight of 291.80 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-ethylsulfanylbenzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-ethylsulfanylbenzamide
PubChem CID4631179
Molecular FormulaC15H14ClNOS
Molecular Weight291.80 g/mol
Exact Mass291.05
IUPAC NameN-(3-chlorophenyl)-2-ethylsulfanylbenzamide
SMILESCCSc1ccccc1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H14ClNOS/c1-2-19-14-9-4-3-8-13(14)15(18)17-12-7-5-6-11(16)10-12/h3-10H,2H2,1H3,(H,17,18)
InChIKeyWSAVCEVIISJLSG-UHFFFAOYSA-N
XLogP4.70
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 ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-ethylsulfanylbenzamide
CID 4631406
N-(3-chlorophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
CID 26086407
N-(3-chlorophenyl)-2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylbenzamide
CID 26086320
dimethyl 5-[(2-ethylsulfanylbenzoyl)amino]benzene-1,3-dicarboxylate
CID 2210400
2-ethylsulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 24624741
N-[4-(dimethylamino)phenyl]-2-ethylsulfanylbenzamide
CID 4631711
N-(3-chlorophenyl)-2-fluorobenzamide
CID 531935
2-ethylsulfanyl-N-quinolin-6-ylbenzamide
CID 166190376
2-[2-[(3-chlorophenyl)carbamoyl]phenyl]acetate
CID 7009272
2-[(2-ethylsulfanylbenzoyl)amino]benzoic acid
CID 17204466
2-chloro-N-(3-chlorophenyl)-3-methoxybenzamide
CID 45051393
N-(3-ethylphenyl)-2-methylsulfanylbenzamide
CID 2591348

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-ethylsulfanylbenzamide?
The IUPAC name of N-(3-chlorophenyl)-2-ethylsulfanylbenzamide (CID 4631179) is N-(3-chlorophenyl)-2-ethylsulfanylbenzamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-ethylsulfanylbenzamide?
The canonical SMILES for N-(3-chlorophenyl)-2-ethylsulfanylbenzamide is CCSc1ccccc1C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-ethylsulfanylbenzamide?
The InChIKey is WSAVCEVIISJLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNOS/c1-2-19-14-9-4-3-8-13(14)15(18)17-12-7-5-6-11(16)10-12/h3-10H,2H2,1H3,(H,17,18).
What are the key properties of N-(3-chlorophenyl)-2-ethylsulfanylbenzamide?
N-(3-chlorophenyl)-2-ethylsulfanylbenzamide has a molecular weight of 291.80 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-ethylsulfanylbenzamide is sourced from PubChem (CID 4631179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).