N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-4-methylsulfonylbenzamide

C16H15Cl2NO3S — CID 9441444

IUPACN-[(1R)-1-(2,4-dichlorophenyl)ethyl]-4-methylsulfonylbenzamide
SMILESC[C@@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H15Cl2NO3S/c1-10(14-8-5-12(17)9-15(14)18)19-16(20)11-3-6-13(7-4-11)23(2,21)22/h3-10H,1-2H3,(H,19,20)/t10-/m1/s1
InChIKeyLCHAOEDESDMERA-SNVBAGLBSA-N
MW372.27 g/mol
LogP3.89
Rot. Bonds4

About N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-4-methylsulfonylbenzamide

N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-4-methylsulfonylbenzamide (PubChem CID 9441444) has the molecular formula C16H15Cl2NO3S and a molecular weight of 372.27 g/mol. Its IUPAC name is N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,4-dichlorophenyl)ethyl]-4-methylsulfonylbenzamide
PubChem CID9441444
Molecular FormulaC16H15Cl2NO3S
Molecular Weight372.27 g/mol
Exact Mass371.01
IUPAC NameN-[(1R)-1-(2,4-dichlorophenyl)ethyl]-4-methylsulfonylbenzamide
SMILESC[C@@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H15Cl2NO3S/c1-10(14-8-5-12(17)9-15(14)18)19-16(20)11-3-6-13(7-4-11)23(2,21)22/h3-10H,1-2H3,(H,19,20)/t10-/m1/s1
InChIKeyLCHAOEDESDMERA-SNVBAGLBSA-N
XLogP3.89
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[1-(2,4-dichlorophenyl)ethyl]benzamide
CID 43101350
2,6-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide
CID 43235797
4-[(carbamoylamino)methyl]-N-[1-(2,4-dichlorophenyl)ethyl]benzamide
CID 78772937
6-chloro-N-[1-(2-chloro-4-methylsulfonylphenyl)ethyl]-1-methylindole-2-carboxamide
CID 177140120
5,6-dichloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 7941890
2-(4-chlorophenyl)sulfonyl-N-[1-(2,4-dichlorophenyl)ethyl]acetamide
CID 24559842
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-5-(dimethylsulfamoyl)-2-methylbenzamide
CID 8503225
1-[1-(2,4-dichlorophenyl)ethyl]-3-[(4-methylbenzoyl)amino]urea
CID 46653640
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 25497877
N-[1-(2,4-dichlorophenyl)ethyl]-3-nitrobenzamide
CID 4793684
N-[1-(2,4-dichlorophenyl)ethyl]-2-propan-2-ylsulfonylpropanamide
CID 55965610
N-[1-(2-chlorophenyl)ethyl]-4-sulfamoylbenzamide
CID 42910401

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-4-methylsulfonylbenzamide?
The IUPAC name of N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-4-methylsulfonylbenzamide (CID 9441444) is N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-4-methylsulfonylbenzamide.
What is the SMILES notation for N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-4-methylsulfonylbenzamide?
The canonical SMILES for N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-4-methylsulfonylbenzamide is C[C@@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-4-methylsulfonylbenzamide?
The InChIKey is LCHAOEDESDMERA-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H15Cl2NO3S/c1-10(14-8-5-12(17)9-15(14)18)19-16(20)11-3-6-13(7-4-11)23(2,21)22/h3-10H,1-2H3,(H,19,20)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-4-methylsulfonylbenzamide?
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-4-methylsulfonylbenzamide has a molecular weight of 372.27 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-4-methylsulfonylbenzamide is sourced from PubChem (CID 9441444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).