N-(3-methoxypropyl)-3,4-dimethylbenzenesulfonamide

C12H19NO3S — CID 2095776

IUPACN-(3-methoxypropyl)-3,4-dimethylbenzenesulfonamide
SMILESCOCCCNS(=O)(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C12H19NO3S/c1-10-5-6-12(9-11(10)2)17(14,15)13-7-4-8-16-3/h5-6,9,13H,4,7-8H2,1-3H3
InChIKeyPXAYEXFFEUDJGG-UHFFFAOYSA-N
MW257.35 g/mol
LogP1.62
Rot. Bonds6

About N-(3-methoxypropyl)-3,4-dimethylbenzenesulfonamide

N-(3-methoxypropyl)-3,4-dimethylbenzenesulfonamide (PubChem CID 2095776) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is N-(3-methoxypropyl)-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-3,4-dimethylbenzenesulfonamide
PubChem CID2095776
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC NameN-(3-methoxypropyl)-3,4-dimethylbenzenesulfonamide
SMILESCOCCCNS(=O)(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C12H19NO3S/c1-10-5-6-12(9-11(10)2)17(14,15)13-7-4-8-16-3/h5-6,9,13H,4,7-8H2,1-3H3
InChIKeyPXAYEXFFEUDJGG-UHFFFAOYSA-N
XLogP1.62
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.62
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-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 30170531
3-amino-4-ethyl-N-(3-methoxypropyl)benzenesulfonamide
CID 43258870
4-bromo-N-(3-methoxypropyl)benzenesulfonamide
CID 4619228
3-amino-4-bromo-N-(3-methoxypropyl)benzenesulfonamide
CID 113288285
3,4-dimethyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzenesulfonamide
CID 113101160
2-methoxy-N-(3-methoxypropyl)-5-methylsulfonylbenzenesulfonamide
CID 110300192
N-[2-(2,5-dimethylphenoxy)ethyl]-3,4-dimethylbenzenesulfonamide
CID 113100856
3-(benzenesulfonyl)-N-(3-methoxypropyl)benzenesulfonamide
CID 11978633
4-(aminomethyl)-N-(2-methoxyethyl)-3-methylbenzenesulfonamide
CID 106919075
3-(3-methoxypropylsulfamoyl)benzoate
CID 36691372
methyl 2-chloro-5-(3-methoxypropylsulfamoyl)benzoate
CID 100769716
N-(2-hydroxy-4-methoxy-2-methylbutyl)-3,4-dimethylbenzenesulfonamide
CID 103835050

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(3-methoxypropyl)-3,4-dimethylbenzenesulfonamide (CID 2095776) is N-(3-methoxypropyl)-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(3-methoxypropyl)-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(3-methoxypropyl)-3,4-dimethylbenzenesulfonamide is COCCCNS(=O)(=O)c1ccc(C)c(C)c1.
What is the InChIKey of N-(3-methoxypropyl)-3,4-dimethylbenzenesulfonamide?
The InChIKey is PXAYEXFFEUDJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-10-5-6-12(9-11(10)2)17(14,15)13-7-4-8-16-3/h5-6,9,13H,4,7-8H2,1-3H3.
What are the key properties of N-(3-methoxypropyl)-3,4-dimethylbenzenesulfonamide?
N-(3-methoxypropyl)-3,4-dimethylbenzenesulfonamide has a molecular weight of 257.35 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 2095776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).