2-chloro-N-(4,4-dimethylpentyl)-5-(dimethylsulfamoyl)benzamide

C16H25ClN2O3S — CID 110617791

IUPAC2-chloro-N-(4,4-dimethylpentyl)-5-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCCC(C)(C)C)c1
InChIInChI=1S/C16H25ClN2O3S/c1-16(2,3)9-6-10-18-15(20)13-11-12(7-8-14(13)17)23(21,22)19(4)5/h7-8,11H,6,9-10H2,1-5H3,(H,18,20)
InChIKeyHYGTUAFYHLEPLN-UHFFFAOYSA-N
MW360.91 g/mol
LogP3.15
Rot. Bonds6

About 2-chloro-N-(4,4-dimethylpentyl)-5-(dimethylsulfamoyl)benzamide

2-chloro-N-(4,4-dimethylpentyl)-5-(dimethylsulfamoyl)benzamide (PubChem CID 110617791) has the molecular formula C16H25ClN2O3S and a molecular weight of 360.91 g/mol. Its IUPAC name is 2-chloro-N-(4,4-dimethylpentyl)-5-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(4,4-dimethylpentyl)-5-(dimethylsulfamoyl)benzamide
PubChem CID110617791
Molecular FormulaC16H25ClN2O3S
Molecular Weight360.91 g/mol
Exact Mass360.13
IUPAC Name2-chloro-N-(4,4-dimethylpentyl)-5-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCCC(C)(C)C)c1
InChIInChI=1S/C16H25ClN2O3S/c1-16(2,3)9-6-10-18-15(20)13-11-12(7-8-14(13)17)23(21,22)19(4)5/h7-8,11H,6,9-10H2,1-5H3,(H,18,20)
InChIKeyHYGTUAFYHLEPLN-UHFFFAOYSA-N
XLogP3.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidobutyl)-2-chloro-5-(dimethylsulfamoyl)benzamide
CID 110356795
2-chloro-5-(dimethylsulfamoyl)-N-(4-methylpentyl)benzamide
CID 32612809
2-chloro-5-(dimethylsulfamoyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 8884146
2-chloro-N-[4-(4-chlorophenoxy)butyl]-5-(dimethylsulfamoyl)benzamide
CID 16567613
2-chloro-N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-5-(dimethylsulfamoyl)benzamide
CID 60607437
2-chloro-N-(3-hydroxypropyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 78854298
2-chloro-5-(dimethylsulfamoyl)-N-[2-(furan-2-yl)ethyl]benzamide
CID 8916939
2-chloro-5-(diethylsulfamoyl)-N-(4-methoxybutyl)benzamide
CID 55716614
N-butyl-2,4-dichloro-5-(dimethylsulfamoyl)benzamide
CID 4917995
2-chloro-N-cyclopentyl-5-(dimethylsulfamoyl)benzamide
CID 26413035
2-chloro-5-(dimethylsulfamoyl)benzoic acid
CID 2324784
2-chloro-5-(dimethylsulfamoyl)-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide
CID 46426763

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4,4-dimethylpentyl)-5-(dimethylsulfamoyl)benzamide?
The IUPAC name of 2-chloro-N-(4,4-dimethylpentyl)-5-(dimethylsulfamoyl)benzamide (CID 110617791) is 2-chloro-N-(4,4-dimethylpentyl)-5-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for 2-chloro-N-(4,4-dimethylpentyl)-5-(dimethylsulfamoyl)benzamide?
The canonical SMILES for 2-chloro-N-(4,4-dimethylpentyl)-5-(dimethylsulfamoyl)benzamide is CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCCC(C)(C)C)c1.
What is the InChIKey of 2-chloro-N-(4,4-dimethylpentyl)-5-(dimethylsulfamoyl)benzamide?
The InChIKey is HYGTUAFYHLEPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O3S/c1-16(2,3)9-6-10-18-15(20)13-11-12(7-8-14(13)17)23(21,22)19(4)5/h7-8,11H,6,9-10H2,1-5H3,(H,18,20).
What are the key properties of 2-chloro-N-(4,4-dimethylpentyl)-5-(dimethylsulfamoyl)benzamide?
2-chloro-N-(4,4-dimethylpentyl)-5-(dimethylsulfamoyl)benzamide has a molecular weight of 360.91 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4,4-dimethylpentyl)-5-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 110617791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).