N-(3-methoxypropyl)-N-methyl-2-(methylamino)benzenesulfonamide

C12H20N2O3S — CID 63009663

IUPACN-(3-methoxypropyl)-N-methyl-2-(methylamino)benzenesulfonamide
SMILESCNc1ccccc1S(=O)(=O)N(C)CCCOC
InChIInChI=1S/C12H20N2O3S/c1-13-11-7-4-5-8-12(11)18(15,16)14(2)9-6-10-17-3/h4-5,7-8,13H,6,9-10H2,1-3H3
InChIKeyBESWKYGHHDISAJ-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.39
Rot. Bonds7

About N-(3-methoxypropyl)-N-methyl-2-(methylamino)benzenesulfonamide

N-(3-methoxypropyl)-N-methyl-2-(methylamino)benzenesulfonamide (PubChem CID 63009663) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(3-methoxypropyl)-N-methyl-2-(methylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-N-methyl-2-(methylamino)benzenesulfonamide
PubChem CID63009663
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC NameN-(3-methoxypropyl)-N-methyl-2-(methylamino)benzenesulfonamide
SMILESCNc1ccccc1S(=O)(=O)N(C)CCCOC
InChIInChI=1S/C12H20N2O3S/c1-13-11-7-4-5-8-12(11)18(15,16)14(2)9-6-10-17-3/h4-5,7-8,13H,6,9-10H2,1-3H3
InChIKeyBESWKYGHHDISAJ-UHFFFAOYSA-N
XLogP1.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-(methylamino)-N-pentylbenzenesulfonamide
CID 62143951
2-hydroxy-N-(3-methoxypropyl)-N-methylbenzenesulfonamide
CID 81246026
methyl 2-[3-methoxypropyl(methyl)sulfamoyl]benzoate
CID 103628065
2-[3-methoxypropyl(methyl)sulfamoyl]benzoic acid
CID 55140299
2-(3-hydroxyprop-1-ynyl)-N-(3-methoxypropyl)-N-methylbenzenesulfonamide
CID 62986078
N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-(methylamino)benzenesulfonamide
CID 62159021
N-(3-methoxypropyl)-N-methyl-4-(methylamino)-3-nitrobenzenesulfonamide
CID 60779176
2-amino-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 61125296
N-methyl-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 55257127
N-[3-(dimethylamino)propyl]-N-ethyl-2-(methylamino)benzenesulfonamide
CID 102996705
3-amino-N-(3-methoxypropyl)-N-methyl-2-nitrobenzenesulfonamide
CID 115993611
4-amino-2-chloro-N-(3-methoxypropyl)-N-methylbenzenesulfonamide
CID 62985193

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-N-methyl-2-(methylamino)benzenesulfonamide?
The IUPAC name of N-(3-methoxypropyl)-N-methyl-2-(methylamino)benzenesulfonamide (CID 63009663) is N-(3-methoxypropyl)-N-methyl-2-(methylamino)benzenesulfonamide.
What is the SMILES notation for N-(3-methoxypropyl)-N-methyl-2-(methylamino)benzenesulfonamide?
The canonical SMILES for N-(3-methoxypropyl)-N-methyl-2-(methylamino)benzenesulfonamide is CNc1ccccc1S(=O)(=O)N(C)CCCOC.
What is the InChIKey of N-(3-methoxypropyl)-N-methyl-2-(methylamino)benzenesulfonamide?
The InChIKey is BESWKYGHHDISAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-13-11-7-4-5-8-12(11)18(15,16)14(2)9-6-10-17-3/h4-5,7-8,13H,6,9-10H2,1-3H3.
What are the key properties of N-(3-methoxypropyl)-N-methyl-2-(methylamino)benzenesulfonamide?
N-(3-methoxypropyl)-N-methyl-2-(methylamino)benzenesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-N-methyl-2-(methylamino)benzenesulfonamide is sourced from PubChem (CID 63009663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).