N-[(4-chlorophenyl)methyl]-4-[ethylsulfonyl(methyl)amino]benzamide

C17H19ClN2O3S — CID 53280666

IUPACN-[(4-chlorophenyl)methyl]-4-[ethylsulfonyl(methyl)amino]benzamide
SMILESCCS(=O)(=O)N(C)c1ccc(C(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-3-24(22,23)20(2)16-10-6-14(7-11-16)17(21)19-12-13-4-8-15(18)9-5-13/h4-11H,3,12H2,1-2H3,(H,19,21)
InChIKeyOIDNWZSARMIIMB-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.06
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-4-[ethylsulfonyl(methyl)amino]benzamide

N-[(4-chlorophenyl)methyl]-4-[ethylsulfonyl(methyl)amino]benzamide (PubChem CID 53280666) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-[ethylsulfonyl(methyl)amino]benzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-[ethylsulfonyl(methyl)amino]benzamide
PubChem CID53280666
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC NameN-[(4-chlorophenyl)methyl]-4-[ethylsulfonyl(methyl)amino]benzamide
SMILESCCS(=O)(=O)N(C)c1ccc(C(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-3-24(22,23)20(2)16-10-6-14(7-11-16)17(21)19-12-13-4-8-15(18)9-5-13/h4-11H,3,12H2,1-2H3,(H,19,21)
InChIKeyOIDNWZSARMIIMB-UHFFFAOYSA-N
XLogP3.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[ethylsulfonyl(methyl)amino]-N-[(4-methylphenyl)methyl]benzamide
CID 21368424
4-[ethylsulfonyl(methyl)amino]-N-(pyridin-4-ylmethyl)benzamide
CID 17200575
N-[(4-chlorophenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 26912045
4-[ethylsulfonyl(methyl)amino]-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 56699116
N-[(4-chlorophenyl)methyl]-4-(ethylamino)benzamide
CID 62184890
4-(butylsulfamoyl)-N-[(4-chlorophenyl)methyl]benzamide
CID 109058697
N-[(4-chlorophenyl)methyl]-4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]benzamide
CID 53287248
N-[3-(4-chlorophenyl)propyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide
CID 92663766
N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 2597668
4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047229
4-[methyl(methylsulfonyl)amino]-N-(pyridin-4-ylmethyl)benzamide
CID 900511
N-[(4-chlorophenyl)methyl]-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide
CID 1107896

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-[ethylsulfonyl(methyl)amino]benzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-[ethylsulfonyl(methyl)amino]benzamide (CID 53280666) is N-[(4-chlorophenyl)methyl]-4-[ethylsulfonyl(methyl)amino]benzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-[ethylsulfonyl(methyl)amino]benzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-[ethylsulfonyl(methyl)amino]benzamide is CCS(=O)(=O)N(C)c1ccc(C(=O)NCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-[ethylsulfonyl(methyl)amino]benzamide?
The InChIKey is OIDNWZSARMIIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-3-24(22,23)20(2)16-10-6-14(7-11-16)17(21)19-12-13-4-8-15(18)9-5-13/h4-11H,3,12H2,1-2H3,(H,19,21).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-[ethylsulfonyl(methyl)amino]benzamide?
N-[(4-chlorophenyl)methyl]-4-[ethylsulfonyl(methyl)amino]benzamide has a molecular weight of 366.87 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-[ethylsulfonyl(methyl)amino]benzamide is sourced from PubChem (CID 53280666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).