N-hexyl-3,4-dimethoxybenzenesulfonamide

C14H23NO4S — CID 3243273

IUPACN-hexyl-3,4-dimethoxybenzenesulfonamide
SMILESCCCCCCNS(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H23NO4S/c1-4-5-6-7-10-15-20(16,17)12-8-9-13(18-2)14(11-12)19-3/h8-9,11,15H,4-7,10H2,1-3H3
InChIKeyGTRRMUPEDVDDMS-UHFFFAOYSA-N
MW301.41 g/mol
LogP2.56
Rot. Bonds9

About N-hexyl-3,4-dimethoxybenzenesulfonamide

N-hexyl-3,4-dimethoxybenzenesulfonamide (PubChem CID 3243273) has the molecular formula C14H23NO4S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-hexyl-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-hexyl-3,4-dimethoxybenzenesulfonamide
PubChem CID3243273
Molecular FormulaC14H23NO4S
Molecular Weight301.41 g/mol
Exact Mass301.13
IUPAC NameN-hexyl-3,4-dimethoxybenzenesulfonamide
SMILESCCCCCCNS(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H23NO4S/c1-4-5-6-7-10-15-20(16,17)12-8-9-13(18-2)14(11-12)19-3/h8-9,11,15H,4-7,10H2,1-3H3
InChIKeyGTRRMUPEDVDDMS-UHFFFAOYSA-N
XLogP2.56
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 52.56
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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Frequently Asked Questions

What is the IUPAC name of N-hexyl-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-hexyl-3,4-dimethoxybenzenesulfonamide (CID 3243273) is N-hexyl-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-hexyl-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-hexyl-3,4-dimethoxybenzenesulfonamide is CCCCCCNS(=O)(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-hexyl-3,4-dimethoxybenzenesulfonamide?
The InChIKey is GTRRMUPEDVDDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4S/c1-4-5-6-7-10-15-20(16,17)12-8-9-13(18-2)14(11-12)19-3/h8-9,11,15H,4-7,10H2,1-3H3.
What are the key properties of N-hexyl-3,4-dimethoxybenzenesulfonamide?
N-hexyl-3,4-dimethoxybenzenesulfonamide has a molecular weight of 301.41 g/mol, XLogP of 2.56, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 3243273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).