N-[2-(4-chlorophenyl)sulfanylethyl]-4-[methyl(methylsulfonyl)amino]benzamide

C17H19ClN2O3S2 — CID 2198136

IUPACN-[2-(4-chlorophenyl)sulfanylethyl]-4-[methyl(methylsulfonyl)amino]benzamide
SMILESCN(c1ccc(C(=O)NCCSc2ccc(Cl)cc2)cc1)S(C)(=O)=O
InChIInChI=1S/C17H19ClN2O3S2/c1-20(25(2,22)23)15-7-3-13(4-8-15)17(21)19-11-12-24-16-9-5-14(18)6-10-16/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyOTWXLPOJSNNUJF-UHFFFAOYSA-N
MW398.94 g/mol
LogP3.26
Rot. Bonds7

About N-[2-(4-chlorophenyl)sulfanylethyl]-4-[methyl(methylsulfonyl)amino]benzamide

N-[2-(4-chlorophenyl)sulfanylethyl]-4-[methyl(methylsulfonyl)amino]benzamide (PubChem CID 2198136) has the molecular formula C17H19ClN2O3S2 and a molecular weight of 398.94 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfanylethyl]-4-[methyl(methylsulfonyl)amino]benzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfanylethyl]-4-[methyl(methylsulfonyl)amino]benzamide
PubChem CID2198136
Molecular FormulaC17H19ClN2O3S2
Molecular Weight398.94 g/mol
Exact Mass398.05
IUPAC NameN-[2-(4-chlorophenyl)sulfanylethyl]-4-[methyl(methylsulfonyl)amino]benzamide
SMILESCN(c1ccc(C(=O)NCCSc2ccc(Cl)cc2)cc1)S(C)(=O)=O
InChIInChI=1S/C17H19ClN2O3S2/c1-20(25(2,22)23)15-7-3-13(4-8-15)17(21)19-11-12-24-16-9-5-14(18)6-10-16/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyOTWXLPOJSNNUJF-UHFFFAOYSA-N
XLogP3.26
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.94
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[dimethylsulfamoyl(methyl)amino]-N-(2-phenylsulfanylethyl)benzamide
CID 92664129
4-[methyl(methylsulfonyl)amino]-N-propylbenzamide
CID 53279666
N-[2-(4-chlorophenyl)sulfanylethyl]-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43920725
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]benzamide
CID 28591496
N-[2-(4-chlorophenyl)sulfanylethyl]-4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzamide
CID 18891092
N-(2-benzylsulfanylethyl)-4-[(4-chlorophenyl)sulfonyl-methylamino]benzamide
CID 5025403
N-[4-(hydrazinecarbonyl)phenyl]-N-methylmethanesulfonamide
CID 91671626
4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
CID 2972175
2-(4-chloro-N-methylsulfonylanilino)-N-[3-(4-chlorophenyl)sulfanylpropyl]acetamide
CID 30219768
N-[3-(4-chlorophenyl)propyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide
CID 92663766
N-methyl-4-[methyl(methylsulfonyl)amino]benzamide
CID 4662443
N-[(Z)-(4-chlorophenyl)methylideneamino]-4-[methyl(methylsulfonyl)amino]benzamide
CID 126150848

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]-4-[methyl(methylsulfonyl)amino]benzamide?
The IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]-4-[methyl(methylsulfonyl)amino]benzamide (CID 2198136) is N-[2-(4-chlorophenyl)sulfanylethyl]-4-[methyl(methylsulfonyl)amino]benzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfanylethyl]-4-[methyl(methylsulfonyl)amino]benzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfanylethyl]-4-[methyl(methylsulfonyl)amino]benzamide is CN(c1ccc(C(=O)NCCSc2ccc(Cl)cc2)cc1)S(C)(=O)=O.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfanylethyl]-4-[methyl(methylsulfonyl)amino]benzamide?
The InChIKey is OTWXLPOJSNNUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S2/c1-20(25(2,22)23)15-7-3-13(4-8-15)17(21)19-11-12-24-16-9-5-14(18)6-10-16/h3-10H,11-12H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(4-chlorophenyl)sulfanylethyl]-4-[methyl(methylsulfonyl)amino]benzamide?
N-[2-(4-chlorophenyl)sulfanylethyl]-4-[methyl(methylsulfonyl)amino]benzamide has a molecular weight of 398.94 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfanylethyl]-4-[methyl(methylsulfonyl)amino]benzamide is sourced from PubChem (CID 2198136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).