2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-5-methylsulfonylbenzamide

C19H19Cl2NO3S — CID 78852755

IUPAC2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-5-methylsulfonylbenzamide
SMILESCC(c1ccccc1Cl)N(C(=O)c1cc(S(C)(=O)=O)ccc1Cl)C1CC1
InChIInChI=1S/C19H19Cl2NO3S/c1-12(15-5-3-4-6-17(15)20)22(13-7-8-13)19(23)16-11-14(26(2,24)25)9-10-18(16)21/h3-6,9-13H,7-8H2,1-2H3
InChIKeyRBWXQRDUKUSPDA-UHFFFAOYSA-N
MW412.34 g/mol
LogP4.76
Rot. Bonds5

About 2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-5-methylsulfonylbenzamide

2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-5-methylsulfonylbenzamide (PubChem CID 78852755) has the molecular formula C19H19Cl2NO3S and a molecular weight of 412.34 g/mol. Its IUPAC name is 2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-5-methylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-5-methylsulfonylbenzamide
PubChem CID78852755
Molecular FormulaC19H19Cl2NO3S
Molecular Weight412.34 g/mol
Exact Mass411.05
IUPAC Name2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-5-methylsulfonylbenzamide
SMILESCC(c1ccccc1Cl)N(C(=O)c1cc(S(C)(=O)=O)ccc1Cl)C1CC1
InChIInChI=1S/C19H19Cl2NO3S/c1-12(15-5-3-4-6-17(15)20)22(13-7-8-13)19(23)16-11-14(26(2,24)25)9-10-18(16)21/h3-6,9-13H,7-8H2,1-2H3
InChIKeyRBWXQRDUKUSPDA-UHFFFAOYSA-N
XLogP4.76
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.34
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-cyclopentyl-N-ethyl-5-methylsulfonylbenzamide
CID 134060819
2-chloro-N-methyl-N-(4-methylcyclohexyl)-5-(propan-2-ylsulfamoyl)benzamide
CID 32916652
3-amino-N-[1-(2-chlorophenyl)ethyl]-N-cyclopropylcyclopentane-1-carboxamide;hydrochloride
CID 119715144
N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-2-pyrrolidin-2-ylacetamide
CID 119715165
2-[cyclopropyl-(3-methylsulfonylbenzoyl)amino]propanoic acid
CID 119202183
N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-4-ethoxybutanamide
CID 78884246
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-chloro-5-methylsulfonylbenzoate
CID 7725973
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-chloro-5-methylsulfonylbenzoate
CID 8603248
[(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 2-chloro-5-methylsulfonylbenzoate
CID 7466283
2-chloro-N-[1-(2-methoxyphenyl)ethyl]-5-methylsulfonylbenzamide
CID 78771753
2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-[methyl(phenyl)sulfamoyl]benzamide
CID 78888779
N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide
CID 78863991

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-5-methylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-5-methylsulfonylbenzamide (CID 78852755) is 2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-5-methylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-5-methylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-5-methylsulfonylbenzamide is CC(c1ccccc1Cl)N(C(=O)c1cc(S(C)(=O)=O)ccc1Cl)C1CC1.
What is the InChIKey of 2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-5-methylsulfonylbenzamide?
The InChIKey is RBWXQRDUKUSPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO3S/c1-12(15-5-3-4-6-17(15)20)22(13-7-8-13)19(23)16-11-14(26(2,24)25)9-10-18(16)21/h3-6,9-13H,7-8H2,1-2H3.
What are the key properties of 2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-5-methylsulfonylbenzamide?
2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-5-methylsulfonylbenzamide has a molecular weight of 412.34 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-5-methylsulfonylbenzamide is sourced from PubChem (CID 78852755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).