4-chloro-N-[2-(4-methoxyphenyl)ethyl]-3-methylsulfonylbenzamide

C17H18ClNO4S — CID 18082399

IUPAC4-chloro-N-[2-(4-methoxyphenyl)ethyl]-3-methylsulfonylbenzamide
SMILESCOc1ccc(CCNC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)cc1
InChIInChI=1S/C17H18ClNO4S/c1-23-14-6-3-12(4-7-14)9-10-19-17(20)13-5-8-15(18)16(11-13)24(2,21)22/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKeyRJPMERWPDSLKOJ-UHFFFAOYSA-N
MW367.85 g/mol
LogP2.72
Rot. Bonds6

About 4-chloro-N-[2-(4-methoxyphenyl)ethyl]-3-methylsulfonylbenzamide

4-chloro-N-[2-(4-methoxyphenyl)ethyl]-3-methylsulfonylbenzamide (PubChem CID 18082399) has the molecular formula C17H18ClNO4S and a molecular weight of 367.85 g/mol. Its IUPAC name is 4-chloro-N-[2-(4-methoxyphenyl)ethyl]-3-methylsulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(4-methoxyphenyl)ethyl]-3-methylsulfonylbenzamide
PubChem CID18082399
Molecular FormulaC17H18ClNO4S
Molecular Weight367.85 g/mol
Exact Mass367.06
IUPAC Name4-chloro-N-[2-(4-methoxyphenyl)ethyl]-3-methylsulfonylbenzamide
SMILESCOc1ccc(CCNC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)cc1
InChIInChI=1S/C17H18ClNO4S/c1-23-14-6-3-12(4-7-14)9-10-19-17(20)13-5-8-15(18)16(11-13)24(2,21)22/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKeyRJPMERWPDSLKOJ-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

4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-(methylsulfamoyl)benzamide
CID 40742173
4-chloro-N-[2-(4-methoxyphenyl)ethyl]-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 16552544
4-chloro-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylsulfonylbenzamide
CID 26458889
N-[2-(4-methoxyphenyl)ethyl]-4-(methylsulfonylmethyl)benzamide
CID 27548428
N-[2-(4-methoxyphenyl)ethyl]naphthalene-2-carboxamide
CID 1343397
4-chloro-N-[2-(2-methylpropanoylamino)ethyl]-3-methylsulfonylbenzamide
CID 32969715
4-N-[2-(4-methoxyphenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042916
3,4-dichloro-N-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]benzamide
CID 34819420
N-[2-(4-ethylsulfonylphenyl)ethyl]-4-methoxybenzamide
CID 110790705
4-(111C)methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 56961355
3-[(2,5-dimethylphenyl)sulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]-4-methylbenzamide
CID 126412703
4-chloro-N-[(4-methoxyphenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 7959660

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(4-methoxyphenyl)ethyl]-3-methylsulfonylbenzamide?
The IUPAC name of 4-chloro-N-[2-(4-methoxyphenyl)ethyl]-3-methylsulfonylbenzamide (CID 18082399) is 4-chloro-N-[2-(4-methoxyphenyl)ethyl]-3-methylsulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-[2-(4-methoxyphenyl)ethyl]-3-methylsulfonylbenzamide?
The canonical SMILES for 4-chloro-N-[2-(4-methoxyphenyl)ethyl]-3-methylsulfonylbenzamide is COc1ccc(CCNC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)cc1.
What is the InChIKey of 4-chloro-N-[2-(4-methoxyphenyl)ethyl]-3-methylsulfonylbenzamide?
The InChIKey is RJPMERWPDSLKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO4S/c1-23-14-6-3-12(4-7-14)9-10-19-17(20)13-5-8-15(18)16(11-13)24(2,21)22/h3-8,11H,9-10H2,1-2H3,(H,19,20).
What are the key properties of 4-chloro-N-[2-(4-methoxyphenyl)ethyl]-3-methylsulfonylbenzamide?
4-chloro-N-[2-(4-methoxyphenyl)ethyl]-3-methylsulfonylbenzamide 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 4-chloro-N-[2-(4-methoxyphenyl)ethyl]-3-methylsulfonylbenzamide is sourced from PubChem (CID 18082399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).