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

C17H18ClNO4S — CID 78771753

IUPAC2-chloro-N-[1-(2-methoxyphenyl)ethyl]-5-methylsulfonylbenzamide
SMILESCOc1ccccc1C(C)NC(=O)c1cc(S(C)(=O)=O)ccc1Cl
InChIInChI=1S/C17H18ClNO4S/c1-11(13-6-4-5-7-16(13)23-2)19-17(20)14-10-12(24(3,21)22)8-9-15(14)18/h4-11H,1-3H3,(H,19,20)
InChIKeyCRCDUYBFFYVWTN-UHFFFAOYSA-N
MW367.85 g/mol
LogP3.24
Rot. Bonds5

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

2-chloro-N-[1-(2-methoxyphenyl)ethyl]-5-methylsulfonylbenzamide (PubChem CID 78771753) has the molecular formula C17H18ClNO4S and a molecular weight of 367.85 g/mol. Its IUPAC name is 2-chloro-N-[1-(2-methoxyphenyl)ethyl]-5-methylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(2-methoxyphenyl)ethyl]-5-methylsulfonylbenzamide
PubChem CID78771753
Molecular FormulaC17H18ClNO4S
Molecular Weight367.85 g/mol
Exact Mass367.06
IUPAC Name2-chloro-N-[1-(2-methoxyphenyl)ethyl]-5-methylsulfonylbenzamide
SMILESCOc1ccccc1C(C)NC(=O)c1cc(S(C)(=O)=O)ccc1Cl
InChIInChI=1S/C17H18ClNO4S/c1-11(13-6-4-5-7-16(13)23-2)19-17(20)14-10-12(24(3,21)22)8-9-15(14)18/h4-11H,1-3H3,(H,19,20)
InChIKeyCRCDUYBFFYVWTN-UHFFFAOYSA-N
XLogP3.24
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.85
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]-5-[methyl(methylsulfonyl)amino]benzamide
CID 100677066
2-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]-5-nitrobenzamide
CID 26882969
2-chloro-4-fluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 26883056
2-chloro-N-[1-(2-methoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 133161311
N-[(1R)-1-(2-chlorophenyl)ethyl]-2,4,5-trimethoxybenzamide
CID 26907645
2-amino-4-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide
CID 81390777
3-chloro-N-[1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 66462846
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(2-methyl-5-methylsulfonylanilino)acetamide
CID 31266867
5-(cyclopropylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-2-methylbenzamide
CID 18131994
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 99645643
2-chloro-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 26009266
4-methylsulfonyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]benzamide
CID 47042681

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2-methoxyphenyl)ethyl]-5-methylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-[1-(2-methoxyphenyl)ethyl]-5-methylsulfonylbenzamide (CID 78771753) is 2-chloro-N-[1-(2-methoxyphenyl)ethyl]-5-methylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-[1-(2-methoxyphenyl)ethyl]-5-methylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-[1-(2-methoxyphenyl)ethyl]-5-methylsulfonylbenzamide is COc1ccccc1C(C)NC(=O)c1cc(S(C)(=O)=O)ccc1Cl.
What is the InChIKey of 2-chloro-N-[1-(2-methoxyphenyl)ethyl]-5-methylsulfonylbenzamide?
The InChIKey is CRCDUYBFFYVWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO4S/c1-11(13-6-4-5-7-16(13)23-2)19-17(20)14-10-12(24(3,21)22)8-9-15(14)18/h4-11H,1-3H3,(H,19,20).
What are the key properties of 2-chloro-N-[1-(2-methoxyphenyl)ethyl]-5-methylsulfonylbenzamide?
2-chloro-N-[1-(2-methoxyphenyl)ethyl]-5-methylsulfonylbenzamide has a molecular weight of 367.85 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2-methoxyphenyl)ethyl]-5-methylsulfonylbenzamide is sourced from PubChem (CID 78771753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).