N-(4-methoxybutyl)-1-(3-methylphenyl)methanesulfonamide

C13H21NO3S — CID 110418031

IUPACN-(4-methoxybutyl)-1-(3-methylphenyl)methanesulfonamide
SMILESCOCCCCNS(=O)(=O)Cc1cccc(C)c1
InChIInChI=1S/C13H21NO3S/c1-12-6-5-7-13(10-12)11-18(15,16)14-8-3-4-9-17-2/h5-7,10,14H,3-4,8-9,11H2,1-2H3
InChIKeyZZKPKZXTFCOUNF-UHFFFAOYSA-N
MW271.38 g/mol
LogP1.84
Rot. Bonds8

About N-(4-methoxybutyl)-1-(3-methylphenyl)methanesulfonamide

N-(4-methoxybutyl)-1-(3-methylphenyl)methanesulfonamide (PubChem CID 110418031) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is N-(4-methoxybutyl)-1-(3-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-methoxybutyl)-1-(3-methylphenyl)methanesulfonamide
PubChem CID110418031
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC NameN-(4-methoxybutyl)-1-(3-methylphenyl)methanesulfonamide
SMILESCOCCCCNS(=O)(=O)Cc1cccc(C)c1
InChIInChI=1S/C13H21NO3S/c1-12-6-5-7-13(10-12)11-18(15,16)14-8-3-4-9-17-2/h5-7,10,14H,3-4,8-9,11H2,1-2H3
InChIKeyZZKPKZXTFCOUNF-UHFFFAOYSA-N
XLogP1.84
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.84
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

3-(3-methoxypropylsulfamoylmethyl)benzoic acid
CID 43362620
N-(4,4-dimethylpentyl)-1-(3-methylphenyl)methanesulfonamide
CID 110421112
1-[4-(hydroxymethyl)phenyl]-N-(5-methoxypentyl)methanesulfonamide
CID 106002081
N-[2-[2-(diethylamino)ethoxy]ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 110425166
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(3-methylphenyl)methanesulfonamide
CID 16887670
1-(7-methoxyheptyl)-3-methylbenzene
CID 70248389
1-[4-(ethylaminomethyl)phenyl]-N-(4-methoxybutyl)methanesulfonamide
CID 106054025
N-(3-aminobutyl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride
CID 119972396
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-1-(3-methylphenyl)methanesulfonamide
CID 110314205
2-methoxy-N-(4-methoxybutyl)ethanesulfonamide
CID 110416443
1-(4-chlorophenyl)-N-(3-methoxypropyl)methanesulfonamide
CID 18891255
N-[2-(furan-2-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 110733578

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutyl)-1-(3-methylphenyl)methanesulfonamide?
The IUPAC name of N-(4-methoxybutyl)-1-(3-methylphenyl)methanesulfonamide (CID 110418031) is N-(4-methoxybutyl)-1-(3-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-(4-methoxybutyl)-1-(3-methylphenyl)methanesulfonamide?
The canonical SMILES for N-(4-methoxybutyl)-1-(3-methylphenyl)methanesulfonamide is COCCCCNS(=O)(=O)Cc1cccc(C)c1.
What is the InChIKey of N-(4-methoxybutyl)-1-(3-methylphenyl)methanesulfonamide?
The InChIKey is ZZKPKZXTFCOUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-12-6-5-7-13(10-12)11-18(15,16)14-8-3-4-9-17-2/h5-7,10,14H,3-4,8-9,11H2,1-2H3.
What are the key properties of N-(4-methoxybutyl)-1-(3-methylphenyl)methanesulfonamide?
N-(4-methoxybutyl)-1-(3-methylphenyl)methanesulfonamide has a molecular weight of 271.38 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutyl)-1-(3-methylphenyl)methanesulfonamide is sourced from PubChem (CID 110418031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).