5-(butylsulfamoyl)-N,2-dimethylbenzamide

C13H20N2O3S — CID 6464049

IUPAC5-(butylsulfamoyl)-N,2-dimethylbenzamide
SMILESCCCCNS(=O)(=O)c1ccc(C)c(C(=O)NC)c1
InChIInChI=1S/C13H20N2O3S/c1-4-5-8-15-19(17,18)11-7-6-10(2)12(9-11)13(16)14-3/h6-7,9,15H,4-5,8H2,1-3H3,(H,14,16)
InChIKeyYGZUTGFOCXCFLW-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.43
Rot. Bonds6

About 5-(butylsulfamoyl)-N,2-dimethylbenzamide

5-(butylsulfamoyl)-N,2-dimethylbenzamide (PubChem CID 6464049) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 5-(butylsulfamoyl)-N,2-dimethylbenzamide.

Molecular Properties

Compound Name5-(butylsulfamoyl)-N,2-dimethylbenzamide
PubChem CID6464049
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name5-(butylsulfamoyl)-N,2-dimethylbenzamide
SMILESCCCCNS(=O)(=O)c1ccc(C)c(C(=O)NC)c1
InChIInChI=1S/C13H20N2O3S/c1-4-5-8-15-19(17,18)11-7-6-10(2)12(9-11)13(16)14-3/h6-7,9,15H,4-5,8H2,1-3H3,(H,14,16)
InChIKeyYGZUTGFOCXCFLW-UHFFFAOYSA-N
XLogP1.43
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(ethylsulfamoyl)-N,2-dimethylbenzamide
CID 6461284
N-butyl-5-(ethylsulfamoyl)-2-methylbenzamide
CID 35710044
5-(decylsulfamoyl)-2-methylbenzoic acid
CID 100820311
methyl 2-methyl-5-(propylsulfamoyl)benzoate
CID 95970856
N-heptan-2-yl-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 46515959
5-[3-(ethylamino)propylsulfamoyl]-2-methylbenzoic acid
CID 61403539
N-[4-(butylsulfamoyl)phenyl]-2-methylbenzamide
CID 4278982
N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 51163000
2-methyl-5-(3-methylsulfonylpropylsulfamoyl)benzoic acid
CID 61019508
5-(ethylsulfamoyl)-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500419
N,2-dimethyl-5-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 7477477
5-(ethylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 27648413

Frequently Asked Questions

What is the IUPAC name of 5-(butylsulfamoyl)-N,2-dimethylbenzamide?
The IUPAC name of 5-(butylsulfamoyl)-N,2-dimethylbenzamide (CID 6464049) is 5-(butylsulfamoyl)-N,2-dimethylbenzamide.
What is the SMILES notation for 5-(butylsulfamoyl)-N,2-dimethylbenzamide?
The canonical SMILES for 5-(butylsulfamoyl)-N,2-dimethylbenzamide is CCCCNS(=O)(=O)c1ccc(C)c(C(=O)NC)c1.
What is the InChIKey of 5-(butylsulfamoyl)-N,2-dimethylbenzamide?
The InChIKey is YGZUTGFOCXCFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-4-5-8-15-19(17,18)11-7-6-10(2)12(9-11)13(16)14-3/h6-7,9,15H,4-5,8H2,1-3H3,(H,14,16).
What are the key properties of 5-(butylsulfamoyl)-N,2-dimethylbenzamide?
5-(butylsulfamoyl)-N,2-dimethylbenzamide has a molecular weight of 284.38 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butylsulfamoyl)-N,2-dimethylbenzamide is sourced from PubChem (CID 6464049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).