4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-ethylhexyl)benzamide

C22H29ClN2O3S — CID 133185556

IUPAC4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-ethylhexyl)benzamide
SMILESCCCCC(CC)CNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H29ClN2O3S/c1-4-6-7-17(5-2)16-24-22(26)18-8-12-20(13-9-18)25(3)29(27,28)21-14-10-19(23)11-15-21/h8-15,17H,4-7,16H2,1-3H3,(H,24,26)
InChIKeyDEBWICTVJWGEQT-UHFFFAOYSA-N
MW437.01 g/mol
LogP5.11
Rot. Bonds10

About 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-ethylhexyl)benzamide

4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-ethylhexyl)benzamide (PubChem CID 133185556) has the molecular formula C22H29ClN2O3S and a molecular weight of 437.01 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-ethylhexyl)benzamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-ethylhexyl)benzamide
PubChem CID133185556
Molecular FormulaC22H29ClN2O3S
Molecular Weight437.01 g/mol
Exact Mass436.16
IUPAC Name4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-ethylhexyl)benzamide
SMILESCCCCC(CC)CNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H29ClN2O3S/c1-4-6-7-17(5-2)16-24-22(26)18-8-12-20(13-9-18)25(3)29(27,28)21-14-10-19(23)11-15-21/h8-15,17H,4-7,16H2,1-3H3,(H,24,26)
InChIKeyDEBWICTVJWGEQT-UHFFFAOYSA-N
XLogP5.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.01
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylhexyl)-4-[ethylsulfonyl(methyl)amino]benzamide
CID 133229169
4-(dimethylamino)-N-(2-ethylhexyl)benzamide
CID 60520434
4-chloro-N-(4-chloro-2-ethylbutyl)benzamide
CID 114306518
4-chloro-3-(dimethylsulfamoyl)-N-(2-ethylhexyl)benzamide
CID 55334750
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[(2R)-2-ethylhexyl]acetamide
CID 94844127
N-[(4-chlorophenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 26912045
4-[(2,4-dichloro-N-methylsulfonylanilino)methyl]-N-(2-ethylhexyl)benzamide
CID 133202074
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R)-1-phenylpropyl]benzamide
CID 92683507
N-[(2S)-2-ethylhexyl]-4-iodobenzamide
CID 95356323
4-[benzenesulfonyl(methyl)amino]-N-butylbenzamide
CID 2193999
4-butyl-N-(2-ethylhexyl)benzamide
CID 91723782
N-[(4-chlorophenyl)methyl]-4-[ethylsulfonyl(methyl)amino]benzamide
CID 53280666

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-ethylhexyl)benzamide?
The IUPAC name of 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-ethylhexyl)benzamide (CID 133185556) is 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-ethylhexyl)benzamide.
What is the SMILES notation for 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-ethylhexyl)benzamide?
The canonical SMILES for 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-ethylhexyl)benzamide is CCCCC(CC)CNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-ethylhexyl)benzamide?
The InChIKey is DEBWICTVJWGEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN2O3S/c1-4-6-7-17(5-2)16-24-22(26)18-8-12-20(13-9-18)25(3)29(27,28)21-14-10-19(23)11-15-21/h8-15,17H,4-7,16H2,1-3H3,(H,24,26).
What are the key properties of 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-ethylhexyl)benzamide?
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-ethylhexyl)benzamide has a molecular weight of 437.01 g/mol, XLogP of 5.11, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-ethylhexyl)benzamide is sourced from PubChem (CID 133185556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).