N-(3-methoxypropyl)-2-methylbenzenesulfonamide

C11H17NO3S — CID 7314047

IUPACN-(3-methoxypropyl)-2-methylbenzenesulfonamide
SMILESCOCCCNS(=O)(=O)c1ccccc1C
InChIInChI=1S/C11H17NO3S/c1-10-6-3-4-7-11(10)16(13,14)12-8-5-9-15-2/h3-4,6-7,12H,5,8-9H2,1-2H3
InChIKeyFKNNLPIBSPMUKU-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.31
Rot. Bonds6

About N-(3-methoxypropyl)-2-methylbenzenesulfonamide

N-(3-methoxypropyl)-2-methylbenzenesulfonamide (PubChem CID 7314047) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-methylbenzenesulfonamide
PubChem CID7314047
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC NameN-(3-methoxypropyl)-2-methylbenzenesulfonamide
SMILESCOCCCNS(=O)(=O)c1ccccc1C
InChIInChI=1S/C11H17NO3S/c1-10-6-3-4-7-11(10)16(13,14)12-8-5-9-15-2/h3-4,6-7,12H,5,8-9H2,1-2H3
InChIKeyFKNNLPIBSPMUKU-UHFFFAOYSA-N
XLogP1.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.31
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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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-methylbenzenesulfonamide?
The IUPAC name of N-(3-methoxypropyl)-2-methylbenzenesulfonamide (CID 7314047) is N-(3-methoxypropyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-methylbenzenesulfonamide?
The canonical SMILES for N-(3-methoxypropyl)-2-methylbenzenesulfonamide is COCCCNS(=O)(=O)c1ccccc1C.
What is the InChIKey of N-(3-methoxypropyl)-2-methylbenzenesulfonamide?
The InChIKey is FKNNLPIBSPMUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-10-6-3-4-7-11(10)16(13,14)12-8-5-9-15-2/h3-4,6-7,12H,5,8-9H2,1-2H3.
What are the key properties of N-(3-methoxypropyl)-2-methylbenzenesulfonamide?
N-(3-methoxypropyl)-2-methylbenzenesulfonamide has a molecular weight of 243.33 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 7314047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).