N-[2-(4-chlorophenyl)sulfanylethyl]benzamide

C15H14ClNOS — CID 3789556

IUPACN-[2-(4-chlorophenyl)sulfanylethyl]benzamide
SMILESO=C(NCCSc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C15H14ClNOS/c16-13-6-8-14(9-7-13)19-11-10-17-15(18)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,17,18)
InChIKeyJCAYJVXHGOUUII-UHFFFAOYSA-N
MW291.80 g/mol
LogP3.86
Rot. Bonds5

About N-[2-(4-chlorophenyl)sulfanylethyl]benzamide

N-[2-(4-chlorophenyl)sulfanylethyl]benzamide (PubChem CID 3789556) has the molecular formula C15H14ClNOS and a molecular weight of 291.80 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfanylethyl]benzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfanylethyl]benzamide
PubChem CID3789556
Molecular FormulaC15H14ClNOS
Molecular Weight291.80 g/mol
Exact Mass291.05
IUPAC NameN-[2-(4-chlorophenyl)sulfanylethyl]benzamide
SMILESO=C(NCCSc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C15H14ClNOS/c16-13-6-8-14(9-7-13)19-11-10-17-15(18)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,17,18)
InChIKeyJCAYJVXHGOUUII-UHFFFAOYSA-N
XLogP3.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-4-chlorobenzamide
CID 346668
N-[2,2,2-trichloro-1-(4-chlorophenyl)sulfanylethyl]benzamide
CID 3277297
4-Chloro-N-phenethylbenzamide
CID 306479
4-bromo-N-[2,2,2-trichloro-1-(4-chlorophenyl)sulfanylethyl]benzamide
CID 3089985
N-[2-(4-chlorophenyl)ethyl]thiophene-2-carboxamide
CID 2805179
3-chloro-N-(2-methyl-1,3-dithian-5-yl)benzamide
CID 2805617
4-chloro-N-(2-methyl-1,3-dithian-5-yl)benzamide
CID 2805620
2-chloro-N-(2-methyl-1,3-dithian-5-yl)benzamide
CID 2805621
3-chloro-N-tetrahydro-3-thiophenylbenzamide
CID 2805655
Thiophene-2-carboxylic acid [2-(4-chloro-phenyl)-2-oxo-ethyl]-amide
CID 856372
4-chloro-N-[2-(thiophen-2-yl)ethyl]benzamide
CID 2732263
[4-(4-Chloro-phenylsulfanylmethyl)-phenyl]-(4-methyl-piperidin-1-yl)-methanone
CID 1153922

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]benzamide?
The IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]benzamide (CID 3789556) is N-[2-(4-chlorophenyl)sulfanylethyl]benzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfanylethyl]benzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfanylethyl]benzamide is O=C(NCCSc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfanylethyl]benzamide?
The InChIKey is JCAYJVXHGOUUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNOS/c16-13-6-8-14(9-7-13)19-11-10-17-15(18)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,17,18).
What are the key properties of N-[2-(4-chlorophenyl)sulfanylethyl]benzamide?
N-[2-(4-chlorophenyl)sulfanylethyl]benzamide has a molecular weight of 291.80 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfanylethyl]benzamide is sourced from PubChem (CID 3789556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).