2-chloro-5-(diethylsulfamoyl)-N-(3-methylbutyl)benzamide

C16H25ClN2O3S — CID 2677242

IUPAC2-chloro-5-(diethylsulfamoyl)-N-(3-methylbutyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCC(C)C)c1
InChIInChI=1S/C16H25ClN2O3S/c1-5-19(6-2)23(21,22)13-7-8-15(17)14(11-13)16(20)18-10-9-12(3)4/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,18,20)
InChIKeyJBXXXUUHOBDZCB-UHFFFAOYSA-N
MW360.91 g/mol
LogP3.15
Rot. Bonds8

About 2-chloro-5-(diethylsulfamoyl)-N-(3-methylbutyl)benzamide

2-chloro-5-(diethylsulfamoyl)-N-(3-methylbutyl)benzamide (PubChem CID 2677242) has the molecular formula C16H25ClN2O3S and a molecular weight of 360.91 g/mol. Its IUPAC name is 2-chloro-5-(diethylsulfamoyl)-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-(diethylsulfamoyl)-N-(3-methylbutyl)benzamide
PubChem CID2677242
Molecular FormulaC16H25ClN2O3S
Molecular Weight360.91 g/mol
Exact Mass360.13
IUPAC Name2-chloro-5-(diethylsulfamoyl)-N-(3-methylbutyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCC(C)C)c1
InChIInChI=1S/C16H25ClN2O3S/c1-5-19(6-2)23(21,22)13-7-8-15(17)14(11-13)16(20)18-10-9-12(3)4/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,18,20)
InChIKeyJBXXXUUHOBDZCB-UHFFFAOYSA-N
XLogP3.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.91
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-(3-methylbutylcarbamoyl)benzenesulfonyl chloride
CID 65368010
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2-chloro-5-(diethylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 7732727
2-chloro-N-[2-(2,6-dichlorophenyl)ethyl]-5-(diethylsulfamoyl)benzamide
CID 60566384
2-chloro-5-(diethylsulfamoyl)-N-(4-methoxybutyl)benzamide
CID 55716614
N-[(2R)-butan-2-yl]-2-chloro-5-(diethylsulfamoyl)benzamide
CID 2478774
N-(3-aminobutyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 119496133
methyl 6-[[2-chloro-5-(diethylsulfamoyl)benzoyl]amino]hexanoate
CID 31839407
N-[2-(azepan-1-yl)ethyl]-2-chloro-5-(diethylsulfamoyl)benzamide
CID 46387530
N-benzyl-2-chloro-5-(diethylsulfamoyl)benzamide
CID 1121797
2-chloro-5-(diethylsulfamoyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 55364284
N-tert-butyl-2-chloro-5-(diethylsulfamoyl)benzamide
CID 2404438

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(diethylsulfamoyl)-N-(3-methylbutyl)benzamide?
The IUPAC name of 2-chloro-5-(diethylsulfamoyl)-N-(3-methylbutyl)benzamide (CID 2677242) is 2-chloro-5-(diethylsulfamoyl)-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 2-chloro-5-(diethylsulfamoyl)-N-(3-methylbutyl)benzamide?
The canonical SMILES for 2-chloro-5-(diethylsulfamoyl)-N-(3-methylbutyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCC(C)C)c1.
What is the InChIKey of 2-chloro-5-(diethylsulfamoyl)-N-(3-methylbutyl)benzamide?
The InChIKey is JBXXXUUHOBDZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O3S/c1-5-19(6-2)23(21,22)13-7-8-15(17)14(11-13)16(20)18-10-9-12(3)4/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,18,20).
What are the key properties of 2-chloro-5-(diethylsulfamoyl)-N-(3-methylbutyl)benzamide?
2-chloro-5-(diethylsulfamoyl)-N-(3-methylbutyl)benzamide has a molecular weight of 360.91 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(diethylsulfamoyl)-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 2677242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).