2-chloro-N-[2-(3-chlorophenyl)ethyl]-5-methylsulfonylbenzamide

C16H15Cl2NO3S — CID 39730732

IUPAC2-chloro-N-[2-(3-chlorophenyl)ethyl]-5-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(Cl)c(C(=O)NCCc2cccc(Cl)c2)c1
InChIInChI=1S/C16H15Cl2NO3S/c1-23(21,22)13-5-6-15(18)14(10-13)16(20)19-8-7-11-3-2-4-12(17)9-11/h2-6,9-10H,7-8H2,1H3,(H,19,20)
InChIKeyCNCNCZDFBIZCHY-UHFFFAOYSA-N
MW372.27 g/mol
LogP3.37
Rot. Bonds5

About 2-chloro-N-[2-(3-chlorophenyl)ethyl]-5-methylsulfonylbenzamide

2-chloro-N-[2-(3-chlorophenyl)ethyl]-5-methylsulfonylbenzamide (PubChem CID 39730732) has the molecular formula C16H15Cl2NO3S and a molecular weight of 372.27 g/mol. Its IUPAC name is 2-chloro-N-[2-(3-chlorophenyl)ethyl]-5-methylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(3-chlorophenyl)ethyl]-5-methylsulfonylbenzamide
PubChem CID39730732
Molecular FormulaC16H15Cl2NO3S
Molecular Weight372.27 g/mol
Exact Mass371.01
IUPAC Name2-chloro-N-[2-(3-chlorophenyl)ethyl]-5-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(Cl)c(C(=O)NCCc2cccc(Cl)c2)c1
InChIInChI=1S/C16H15Cl2NO3S/c1-23(21,22)13-5-6-15(18)14(10-13)16(20)19-8-7-11-3-2-4-12(17)9-11/h2-6,9-10H,7-8H2,1H3,(H,19,20)
InChIKeyCNCNCZDFBIZCHY-UHFFFAOYSA-N
XLogP3.37
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 873795
2-chloro-5-(diethylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 7732727
N-[2-(3-chlorophenyl)ethyl]-3-(methylsulfonylmethyl)benzamide
CID 27838781
3,4-dichloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 888038
N-[2-(3-chlorophenyl)ethyl]-2-fluorobenzamide
CID 844160
N-[2-(3-chlorophenyl)ethyl]-2-propan-2-ylsulfonylbenzamide
CID 39932239
4-chloro-N-[2-(3-chlorophenyl)ethyl]-6-methylpyridine-3-carboxamide
CID 81225265
methyl N-[2-(3-chlorophenyl)ethyl]carbamate
CID 897069
2-amino-4-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 61112878
N-[2-(3-chlorophenyl)ethyl]-3-(methanesulfonamido)benzamide
CID 18114724
N-[2-(3-bromophenoxy)ethyl]-2-chloro-5-methylsulfonylbenzamide
CID 55921133
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-chloro-5-methylsulfonylbenzamide
CID 78810749

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(3-chlorophenyl)ethyl]-5-methylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-[2-(3-chlorophenyl)ethyl]-5-methylsulfonylbenzamide (CID 39730732) is 2-chloro-N-[2-(3-chlorophenyl)ethyl]-5-methylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-[2-(3-chlorophenyl)ethyl]-5-methylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-[2-(3-chlorophenyl)ethyl]-5-methylsulfonylbenzamide is CS(=O)(=O)c1ccc(Cl)c(C(=O)NCCc2cccc(Cl)c2)c1.
What is the InChIKey of 2-chloro-N-[2-(3-chlorophenyl)ethyl]-5-methylsulfonylbenzamide?
The InChIKey is CNCNCZDFBIZCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO3S/c1-23(21,22)13-5-6-15(18)14(10-13)16(20)19-8-7-11-3-2-4-12(17)9-11/h2-6,9-10H,7-8H2,1H3,(H,19,20).
What are the key properties of 2-chloro-N-[2-(3-chlorophenyl)ethyl]-5-methylsulfonylbenzamide?
2-chloro-N-[2-(3-chlorophenyl)ethyl]-5-methylsulfonylbenzamide has a molecular weight of 372.27 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(3-chlorophenyl)ethyl]-5-methylsulfonylbenzamide is sourced from PubChem (CID 39730732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).