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'}

Analyze N-hexyl-3,4-dimethoxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2,5-dimethoxybenzenesulfonamide
CID 729552
N-cycloheptyl-4-ethoxybenzenesulfonamide
CID 975925
N-butyl-4-methoxybenzenesulfonamide
CID 2447451
(2-Methoxy-isopropyl)[(4-methoxyphenyl)sulfonyl]amine
CID 2904487
N-[5-[(2,6-difluorophenyl)sulfonylamino]pentyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide
CID 25243782
3,4-Dimethoxy-N-phenethyl-benzenesulfonamide
CID 740562
1-[(3,4-Dimethoxyphenyl)sulfonyl]-4-methylpiperidine
CID 761426
1-(3,4-Dimethoxyphenyl)sulfonylpyrrolidine
CID 778310
3,4-Dimethoxybenzene-1-sulfonamide
CID 679488
4-Methoxy-N-methylbenzenesulfonamide
CID 2497429
3,4-Diethoxybenzene-1-sulfonamide
CID 4962704
3,4-Dimethoxybenzenesulfonyl chloride
CID 2734183

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).