N-methyl-2-(methylamino)-N-pentylbenzenesulfonamide

C13H22N2O2S — CID 62143951

IUPACN-methyl-2-(methylamino)-N-pentylbenzenesulfonamide
SMILESCCCCCN(C)S(=O)(=O)c1ccccc1NC
InChIInChI=1S/C13H22N2O2S/c1-4-5-8-11-15(3)18(16,17)13-10-7-6-9-12(13)14-2/h6-7,9-10,14H,4-5,8,11H2,1-3H3
InChIKeyVCCXJOQLJHXSHS-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.54
Rot. Bonds7

About N-methyl-2-(methylamino)-N-pentylbenzenesulfonamide

N-methyl-2-(methylamino)-N-pentylbenzenesulfonamide (PubChem CID 62143951) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-methyl-2-(methylamino)-N-pentylbenzenesulfonamide.

Molecular Properties

Compound NameN-methyl-2-(methylamino)-N-pentylbenzenesulfonamide
PubChem CID62143951
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-methyl-2-(methylamino)-N-pentylbenzenesulfonamide
SMILESCCCCCN(C)S(=O)(=O)c1ccccc1NC
InChIInChI=1S/C13H22N2O2S/c1-4-5-8-11-15(3)18(16,17)13-10-7-6-9-12(13)14-2/h6-7,9-10,14H,4-5,8,11H2,1-3H3
InChIKeyVCCXJOQLJHXSHS-UHFFFAOYSA-N
XLogP2.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.54
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-(3-methoxypropyl)-N-methyl-2-(methylamino)benzenesulfonamide
CID 63009663
N-[3-(dimethylamino)propyl]-N-ethyl-2-(methylamino)benzenesulfonamide
CID 102996705
N-[2-(dimethylamino)ethyl]-N-methyl-2-(propylamino)benzenesulfonamide
CID 63726361
N-butyl-N-methyl-2-(methylamino)pyridine-3-sulfonamide
CID 62162650
N,N-dimethyl-2-(octylamino)benzenesulfonamide
CID 115568876
2-chloro-N-methyl-N-pentylpyridine-3-sulfonamide
CID 43456976
N-methyl-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 55257127
N-butyl-3-(ethylamino)-N-methyl-2-nitrobenzenesulfonamide
CID 115993200
1-N,3-N-dimethyl-1-N,3-N-dioctadecylbenzene-1,3-disulfonamide
CID 168911420
2-fluoro-N-methyl-4-(methylaminomethyl)-N-pentylbenzenesulfonamide
CID 79187110
N-butyl-3-(ethylamino)-N-methylpyridine-2-sulfonamide
CID 103303046
N-methyl-2-(methylamino)-N-pentylbenzamide
CID 61375902

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(methylamino)-N-pentylbenzenesulfonamide?
The IUPAC name of N-methyl-2-(methylamino)-N-pentylbenzenesulfonamide (CID 62143951) is N-methyl-2-(methylamino)-N-pentylbenzenesulfonamide.
What is the SMILES notation for N-methyl-2-(methylamino)-N-pentylbenzenesulfonamide?
The canonical SMILES for N-methyl-2-(methylamino)-N-pentylbenzenesulfonamide is CCCCCN(C)S(=O)(=O)c1ccccc1NC.
What is the InChIKey of N-methyl-2-(methylamino)-N-pentylbenzenesulfonamide?
The InChIKey is VCCXJOQLJHXSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-4-5-8-11-15(3)18(16,17)13-10-7-6-9-12(13)14-2/h6-7,9-10,14H,4-5,8,11H2,1-3H3.
What are the key properties of N-methyl-2-(methylamino)-N-pentylbenzenesulfonamide?
N-methyl-2-(methylamino)-N-pentylbenzenesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(methylamino)-N-pentylbenzenesulfonamide is sourced from PubChem (CID 62143951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).