N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-methylsulfonylbenzamide

C17H18ClNO3S — CID 47023702

IUPACN-[1-(4-chlorophenyl)ethyl]-N-methyl-4-methylsulfonylbenzamide
SMILESCC(c1ccc(Cl)cc1)N(C)C(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C17H18ClNO3S/c1-12(13-4-8-15(18)9-5-13)19(2)17(20)14-6-10-16(11-7-14)23(3,21)22/h4-12H,1-3H3
InChIKeySLDGDWQPUUUOCO-UHFFFAOYSA-N
MW351.86 g/mol
LogP3.58
Rot. Bonds4

About N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-methylsulfonylbenzamide

N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-methylsulfonylbenzamide (PubChem CID 47023702) has the molecular formula C17H18ClNO3S and a molecular weight of 351.86 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-N-methyl-4-methylsulfonylbenzamide
PubChem CID47023702
Molecular FormulaC17H18ClNO3S
Molecular Weight351.86 g/mol
Exact Mass351.07
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-N-methyl-4-methylsulfonylbenzamide
SMILESCC(c1ccc(Cl)cc1)N(C)C(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C17H18ClNO3S/c1-12(13-4-8-15(18)9-5-13)19(2)17(20)14-6-10-16(11-7-14)23(3,21)22/h4-12H,1-3H3
InChIKeySLDGDWQPUUUOCO-UHFFFAOYSA-N
XLogP3.58
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-methylsulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 42945819
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 75870184
4-(aminomethyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 119279454
N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 46580547
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-4-phenoxybenzamide
CID 42945823
N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-(prop-2-ynylsulfamoyl)benzamide
CID 134003986
4-chloro-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 56811278
2,6-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-4-carboxamide
CID 60735316
N-[(1R)-1-(4-chlorophenyl)ethyl]-3,4-dimethoxy-N-methylbenzamide
CID 31827609
4-iodo-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 42919716
2,4-difluoro-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 75870193
N-(3,3-dimethylbutan-2-yl)-N-methyl-4-methylsulfonylbenzamide
CID 42951899

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-methylsulfonylbenzamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-methylsulfonylbenzamide (CID 47023702) is N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-methylsulfonylbenzamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-methylsulfonylbenzamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-methylsulfonylbenzamide is CC(c1ccc(Cl)cc1)N(C)C(=O)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-methylsulfonylbenzamide?
The InChIKey is SLDGDWQPUUUOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3S/c1-12(13-4-8-15(18)9-5-13)19(2)17(20)14-6-10-16(11-7-14)23(3,21)22/h4-12H,1-3H3.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-methylsulfonylbenzamide?
N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-methylsulfonylbenzamide has a molecular weight of 351.86 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-methylsulfonylbenzamide is sourced from PubChem (CID 47023702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).