4-chloro-3-(dimethylsulfamoyl)-N-(2-ethylhexyl)benzamide

C17H27ClN2O3S — CID 55334750

IUPAC4-chloro-3-(dimethylsulfamoyl)-N-(2-ethylhexyl)benzamide
SMILESCCCCC(CC)CNC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C17H27ClN2O3S/c1-5-7-8-13(6-2)12-19-17(21)14-9-10-15(18)16(11-14)24(22,23)20(3)4/h9-11,13H,5-8,12H2,1-4H3,(H,19,21)
InChIKeyIHOGBUZEIAOEQS-UHFFFAOYSA-N
MW374.93 g/mol
LogP3.54
Rot. Bonds9

About 4-chloro-3-(dimethylsulfamoyl)-N-(2-ethylhexyl)benzamide

4-chloro-3-(dimethylsulfamoyl)-N-(2-ethylhexyl)benzamide (PubChem CID 55334750) has the molecular formula C17H27ClN2O3S and a molecular weight of 374.93 g/mol. Its IUPAC name is 4-chloro-3-(dimethylsulfamoyl)-N-(2-ethylhexyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-(dimethylsulfamoyl)-N-(2-ethylhexyl)benzamide
PubChem CID55334750
Molecular FormulaC17H27ClN2O3S
Molecular Weight374.93 g/mol
Exact Mass374.14
IUPAC Name4-chloro-3-(dimethylsulfamoyl)-N-(2-ethylhexyl)benzamide
SMILESCCCCC(CC)CNC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C17H27ClN2O3S/c1-5-7-8-13(6-2)12-19-17(21)14-9-10-15(18)16(11-14)24(22,23)20(3)4/h9-11,13H,5-8,12H2,1-4H3,(H,19,21)
InChIKeyIHOGBUZEIAOEQS-UHFFFAOYSA-N
XLogP3.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.93
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-4-chloro-3-(dimethylsulfamoyl)benzamide
CID 35709594
[2-chloro-5-[[(2R)-2-ethylhexyl]carbamoyl]phenyl]boronic acid
CID 99738113
4-bromo-3-chloro-N-(2-ethylhexyl)benzamide
CID 81307789
N-(2-ethylhexyl)-4-[ethylsulfonyl(methyl)amino]benzamide
CID 133229169
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-ethylhexyl)benzamide
CID 133185556
3-chloro-4-ethoxy-N-[(2R)-2-ethylhexyl]benzamide
CID 100546421
4-(dimethylamino)-N-(2-ethylhexyl)benzamide
CID 60520434
N-(2-ethylhexyl)-1,3-benzodioxole-5-carboxamide
CID 2915932
4-chloro-3-(dimethylsulfamoyl)-N-propan-2-ylbenzamide
CID 34234138
N-(2-ethylhexyl)-4-methyl-3-(phenylsulfamoyl)benzamide
CID 133229112
4-chloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-(dimethylsulfamoyl)benzamide
CID 55610871
N-[(2R)-2-ethylhexyl]-3-methylsulfonylbenzamide
CID 36616680

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(dimethylsulfamoyl)-N-(2-ethylhexyl)benzamide?
The IUPAC name of 4-chloro-3-(dimethylsulfamoyl)-N-(2-ethylhexyl)benzamide (CID 55334750) is 4-chloro-3-(dimethylsulfamoyl)-N-(2-ethylhexyl)benzamide.
What is the SMILES notation for 4-chloro-3-(dimethylsulfamoyl)-N-(2-ethylhexyl)benzamide?
The canonical SMILES for 4-chloro-3-(dimethylsulfamoyl)-N-(2-ethylhexyl)benzamide is CCCCC(CC)CNC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 4-chloro-3-(dimethylsulfamoyl)-N-(2-ethylhexyl)benzamide?
The InChIKey is IHOGBUZEIAOEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O3S/c1-5-7-8-13(6-2)12-19-17(21)14-9-10-15(18)16(11-14)24(22,23)20(3)4/h9-11,13H,5-8,12H2,1-4H3,(H,19,21).
What are the key properties of 4-chloro-3-(dimethylsulfamoyl)-N-(2-ethylhexyl)benzamide?
4-chloro-3-(dimethylsulfamoyl)-N-(2-ethylhexyl)benzamide has a molecular weight of 374.93 g/mol, XLogP of 3.54, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(dimethylsulfamoyl)-N-(2-ethylhexyl)benzamide is sourced from PubChem (CID 55334750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).