4-[(2,4-dichloro-N-methylsulfonylanilino)methyl]-N-(2-ethylhexyl)benzamide

C23H30Cl2N2O3S — CID 133202074

IUPAC4-[(2,4-dichloro-N-methylsulfonylanilino)methyl]-N-(2-ethylhexyl)benzamide
SMILESCCCCC(CC)CNC(=O)c1ccc(CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1
InChIInChI=1S/C23H30Cl2N2O3S/c1-4-6-7-17(5-2)15-26-23(28)19-10-8-18(9-11-19)16-27(31(3,29)30)22-13-12-20(24)14-21(22)25/h8-14,17H,4-7,15-16H2,1-3H3,(H,26,28)
InChIKeyHUOBGDGSWWTNBS-UHFFFAOYSA-N
MW485.48 g/mol
LogP5.91
Rot. Bonds11

About 4-[(2,4-dichloro-N-methylsulfonylanilino)methyl]-N-(2-ethylhexyl)benzamide

4-[(2,4-dichloro-N-methylsulfonylanilino)methyl]-N-(2-ethylhexyl)benzamide (PubChem CID 133202074) has the molecular formula C23H30Cl2N2O3S and a molecular weight of 485.48 g/mol. Its IUPAC name is 4-[(2,4-dichloro-N-methylsulfonylanilino)methyl]-N-(2-ethylhexyl)benzamide.

Molecular Properties

Compound Name4-[(2,4-dichloro-N-methylsulfonylanilino)methyl]-N-(2-ethylhexyl)benzamide
PubChem CID133202074
Molecular FormulaC23H30Cl2N2O3S
Molecular Weight485.48 g/mol
Exact Mass484.14
IUPAC Name4-[(2,4-dichloro-N-methylsulfonylanilino)methyl]-N-(2-ethylhexyl)benzamide
SMILESCCCCC(CC)CNC(=O)c1ccc(CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1
InChIInChI=1S/C23H30Cl2N2O3S/c1-4-6-7-17(5-2)15-26-23(28)19-10-8-18(9-11-19)16-27(31(3,29)30)22-13-12-20(24)14-21(22)25/h8-14,17H,4-7,15-16H2,1-3H3,(H,26,28)
InChIKeyHUOBGDGSWWTNBS-UHFFFAOYSA-N
XLogP5.91
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.48
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-chloro-N-methylsulfonyl-2-(trifluoromethyl)anilino]methyl]-N-[(2S)-2-ethylhexyl]benzamide
CID 100505148
4-[(5-chloro-N-methylsulfonyl-2-phenoxyanilino)methyl]-N-(2-ethylhexyl)benzamide
CID 133202009
4-[(3-bromo-N-methylsulfonylanilino)methyl]-N-(2-ethylhexyl)benzamide
CID 133218548
2-[benzyl(methylsulfonyl)amino]-N-(2-ethylhexyl)benzamide
CID 133185431
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide
CID 133185206
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-ethylhexyl)benzamide
CID 133185556
N-(2-ethylhexyl)-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide
CID 133163863
4-butyl-N-(2-ethylhexyl)benzamide
CID 91723782
4-[[4-chloro-N-methylsulfonyl-2-(trifluoromethyl)anilino]methyl]-N-(2-phenylpropyl)benzamide
CID 133202069
4-chloro-3-(dimethylsulfamoyl)-N-(2-ethylhexyl)benzamide
CID 55334750
[2-chloro-5-[[(2R)-2-ethylhexyl]carbamoyl]phenyl]boronic acid
CID 99738113
N-(2-ethylhexyl)-4-[ethylsulfonyl(methyl)amino]benzamide
CID 133229169

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dichloro-N-methylsulfonylanilino)methyl]-N-(2-ethylhexyl)benzamide?
The IUPAC name of 4-[(2,4-dichloro-N-methylsulfonylanilino)methyl]-N-(2-ethylhexyl)benzamide (CID 133202074) is 4-[(2,4-dichloro-N-methylsulfonylanilino)methyl]-N-(2-ethylhexyl)benzamide.
What is the SMILES notation for 4-[(2,4-dichloro-N-methylsulfonylanilino)methyl]-N-(2-ethylhexyl)benzamide?
The canonical SMILES for 4-[(2,4-dichloro-N-methylsulfonylanilino)methyl]-N-(2-ethylhexyl)benzamide is CCCCC(CC)CNC(=O)c1ccc(CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1.
What is the InChIKey of 4-[(2,4-dichloro-N-methylsulfonylanilino)methyl]-N-(2-ethylhexyl)benzamide?
The InChIKey is HUOBGDGSWWTNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30Cl2N2O3S/c1-4-6-7-17(5-2)15-26-23(28)19-10-8-18(9-11-19)16-27(31(3,29)30)22-13-12-20(24)14-21(22)25/h8-14,17H,4-7,15-16H2,1-3H3,(H,26,28).
What are the key properties of 4-[(2,4-dichloro-N-methylsulfonylanilino)methyl]-N-(2-ethylhexyl)benzamide?
4-[(2,4-dichloro-N-methylsulfonylanilino)methyl]-N-(2-ethylhexyl)benzamide has a molecular weight of 485.48 g/mol, XLogP of 5.91, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dichloro-N-methylsulfonylanilino)methyl]-N-(2-ethylhexyl)benzamide is sourced from PubChem (CID 133202074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).