N-(3-chloro-2-methylphenyl)-4-[ethylsulfonyl(methyl)amino]benzamide

C17H19ClN2O3S — CID 21173367

IUPACN-(3-chloro-2-methylphenyl)-4-[ethylsulfonyl(methyl)amino]benzamide
SMILESCCS(=O)(=O)N(C)c1ccc(C(=O)Nc2cccc(Cl)c2C)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-4-24(22,23)20(3)14-10-8-13(9-11-14)17(21)19-16-7-5-6-15(18)12(16)2/h5-11H,4H2,1-3H3,(H,19,21)
InChIKeySTZBSJIHYBOEQS-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.69
Rot. Bonds5

About N-(3-chloro-2-methylphenyl)-4-[ethylsulfonyl(methyl)amino]benzamide

N-(3-chloro-2-methylphenyl)-4-[ethylsulfonyl(methyl)amino]benzamide (PubChem CID 21173367) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-4-[ethylsulfonyl(methyl)amino]benzamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-4-[ethylsulfonyl(methyl)amino]benzamide
PubChem CID21173367
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC NameN-(3-chloro-2-methylphenyl)-4-[ethylsulfonyl(methyl)amino]benzamide
SMILESCCS(=O)(=O)N(C)c1ccc(C(=O)Nc2cccc(Cl)c2C)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-4-24(22,23)20(3)14-10-8-13(9-11-14)17(21)19-16-7-5-6-15(18)12(16)2/h5-11H,4H2,1-3H3,(H,19,21)
InChIKeySTZBSJIHYBOEQS-UHFFFAOYSA-N
XLogP3.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-4-ethylbenzamide
CID 2671399
N-(3-chloro-2-methylphenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 23761147
N-(3-chloro-2-methylphenyl)-4-[(4-chlorophenyl)methyl-methylsulfonylamino]benzamide
CID 1357728
N-(3-chloro-2-methylphenyl)-4-[2-(dimethylamino)ethylsulfamoyl]benzamide
CID 109060186
N-(3-chloro-2-methylphenyl)-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide
CID 30149936
N-(2,3-dimethylphenyl)-4-[ethyl(ethylsulfonyl)amino]benzamide
CID 53287045
N-tert-butyl-2-[[4-[ethylsulfonyl(methyl)amino]benzoyl]amino]benzamide
CID 21367377
N-(3-chloro-2-methylphenyl)-4-methylsulfanylbenzamide
CID 8574861
N-(3-bromophenyl)-4-[ethylsulfonyl(methyl)amino]benzamide
CID 8991381
4-tert-butyl-N-[3-[[4-[ethylsulfonyl(methyl)amino]benzoyl]amino]phenyl]benzamide
CID 99956067
N-(3-chloro-2-methylphenyl)-3-(propylsulfonylamino)benzamide
CID 36709710
N-(3-chloro-2-methylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 133184207

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-4-[ethylsulfonyl(methyl)amino]benzamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-4-[ethylsulfonyl(methyl)amino]benzamide (CID 21173367) is N-(3-chloro-2-methylphenyl)-4-[ethylsulfonyl(methyl)amino]benzamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-4-[ethylsulfonyl(methyl)amino]benzamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-4-[ethylsulfonyl(methyl)amino]benzamide is CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2cccc(Cl)c2C)cc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-4-[ethylsulfonyl(methyl)amino]benzamide?
The InChIKey is STZBSJIHYBOEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-4-24(22,23)20(3)14-10-8-13(9-11-14)17(21)19-16-7-5-6-15(18)12(16)2/h5-11H,4H2,1-3H3,(H,19,21).
What are the key properties of N-(3-chloro-2-methylphenyl)-4-[ethylsulfonyl(methyl)amino]benzamide?
N-(3-chloro-2-methylphenyl)-4-[ethylsulfonyl(methyl)amino]benzamide has a molecular weight of 366.87 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-4-[ethylsulfonyl(methyl)amino]benzamide is sourced from PubChem (CID 21173367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).