N-methoxy-N-methyl-4-propylbenzenesulfonamide

C11H17NO3S — CID 60660891

IUPACN-methoxy-N-methyl-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)N(C)OC)cc1
InChIInChI=1S/C11H17NO3S/c1-4-5-10-6-8-11(9-7-10)16(13,14)12(2)15-3/h6-9H,4-5H2,1-3H3
InChIKeyFFLJUPLXNUGPAC-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.82
Rot. Bonds5

About N-methoxy-N-methyl-4-propylbenzenesulfonamide

N-methoxy-N-methyl-4-propylbenzenesulfonamide (PubChem CID 60660891) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-methoxy-N-methyl-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-4-propylbenzenesulfonamide
PubChem CID60660891
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC NameN-methoxy-N-methyl-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)N(C)OC)cc1
InChIInChI=1S/C11H17NO3S/c1-4-5-10-6-8-11(9-7-10)16(13,14)12(2)15-3/h6-9H,4-5H2,1-3H3
InChIKeyFFLJUPLXNUGPAC-UHFFFAOYSA-N
XLogP1.82
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-methoxy-N-methylbenzenesulfonamide
CID 4962658
4-[methoxy(methyl)sulfamoyl]-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide
CID 35538236
N,4-dibutyl-N-methylbenzenesulfonamide
CID 3736049
N-[2-(4-fluorophenyl)ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide
CID 9210483
methyl 3-[ethyl-(4-propylphenyl)sulfonylamino]propanoate
CID 61009529
methyl 4-[methoxy(methyl)sulfamoyl]benzoate
CID 35459995
4-[methoxy(methyl)sulfamoyl]benzamide
CID 47116565
N-(2-aminoethyl)-N,4-dipropylbenzenesulfonamide
CID 61350112
4-[[[4-[methoxy(methyl)sulfamoyl]benzoyl]-methylamino]methyl]-N-methylbenzamide
CID 26722330
N-methyl-4-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607107
N-(2-aminocyclohexyl)-N-methyl-4-propylbenzenesulfonamide
CID 102639359
N-methyl-4-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55136438

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-4-propylbenzenesulfonamide?
The IUPAC name of N-methoxy-N-methyl-4-propylbenzenesulfonamide (CID 60660891) is N-methoxy-N-methyl-4-propylbenzenesulfonamide.
What is the SMILES notation for N-methoxy-N-methyl-4-propylbenzenesulfonamide?
The canonical SMILES for N-methoxy-N-methyl-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)N(C)OC)cc1.
What is the InChIKey of N-methoxy-N-methyl-4-propylbenzenesulfonamide?
The InChIKey is FFLJUPLXNUGPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-4-5-10-6-8-11(9-7-10)16(13,14)12(2)15-3/h6-9H,4-5H2,1-3H3.
What are the key properties of N-methoxy-N-methyl-4-propylbenzenesulfonamide?
N-methoxy-N-methyl-4-propylbenzenesulfonamide has a molecular weight of 243.33 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-4-propylbenzenesulfonamide is sourced from PubChem (CID 60660891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).