5-chloro-2-methoxy-N-[2-(4-methylsulfonylphenyl)ethyl]benzamide

C17H18ClNO4S — CID 170994520

IUPAC5-chloro-2-methoxy-N-[2-(4-methylsulfonylphenyl)ethyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C17H18ClNO4S/c1-23-16-8-5-13(18)11-15(16)17(20)19-10-9-12-3-6-14(7-4-12)24(2,21)22/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKeyFKBNEMKGEHFMKL-UHFFFAOYSA-N
MW367.85 g/mol
LogP2.72
Rot. Bonds6

About 5-chloro-2-methoxy-N-[2-(4-methylsulfonylphenyl)ethyl]benzamide

5-chloro-2-methoxy-N-[2-(4-methylsulfonylphenyl)ethyl]benzamide (PubChem CID 170994520) has the molecular formula C17H18ClNO4S and a molecular weight of 367.85 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[2-(4-methylsulfonylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[2-(4-methylsulfonylphenyl)ethyl]benzamide
PubChem CID170994520
Molecular FormulaC17H18ClNO4S
Molecular Weight367.85 g/mol
Exact Mass367.06
IUPAC Name5-chloro-2-methoxy-N-[2-(4-methylsulfonylphenyl)ethyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C17H18ClNO4S/c1-23-16-8-5-13(18)11-15(16)17(20)19-10-9-12-3-6-14(7-4-12)24(2,21)22/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKeyFKBNEMKGEHFMKL-UHFFFAOYSA-N
XLogP2.72
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.85
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]acetic acid
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2-[4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]phenyl]acetic acid
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5-chloro-N-[2-[4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]carbamoylsulfamoyl]phenyl]ethyl]-2-methoxybenzamide
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cerium;5-chloro-N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide
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5-chloro-2-methoxy-N-[2-(4-piperidin-1-ylphenyl)ethyl]benzamide
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5-chloro-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]benzamide
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CID 162398078
5-chloro-2-methoxy-N-[2-[4-[propan-2-yl(1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]ethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[2-(4-methylsulfonylphenyl)ethyl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[2-(4-methylsulfonylphenyl)ethyl]benzamide (CID 170994520) is 5-chloro-2-methoxy-N-[2-(4-methylsulfonylphenyl)ethyl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[2-(4-methylsulfonylphenyl)ethyl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[2-(4-methylsulfonylphenyl)ethyl]benzamide is COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 5-chloro-2-methoxy-N-[2-(4-methylsulfonylphenyl)ethyl]benzamide?
The InChIKey is FKBNEMKGEHFMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO4S/c1-23-16-8-5-13(18)11-15(16)17(20)19-10-9-12-3-6-14(7-4-12)24(2,21)22/h3-8,11H,9-10H2,1-2H3,(H,19,20).
What are the key properties of 5-chloro-2-methoxy-N-[2-(4-methylsulfonylphenyl)ethyl]benzamide?
5-chloro-2-methoxy-N-[2-(4-methylsulfonylphenyl)ethyl]benzamide has a molecular weight of 367.85 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[2-(4-methylsulfonylphenyl)ethyl]benzamide is sourced from PubChem (CID 170994520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).