2,4-diethoxy-N-octylbenzenesulfonamide

C18H31NO4S — CID 67803858

IUPAC2,4-diethoxy-N-octylbenzenesulfonamide
SMILESCCCCCCCCNS(=O)(=O)c1ccc(OCC)cc1OCC
InChIInChI=1S/C18H31NO4S/c1-4-7-8-9-10-11-14-19-24(20,21)18-13-12-16(22-5-2)15-17(18)23-6-3/h12-13,15,19H,4-11,14H2,1-3H3
InChIKeyUGDMBMNGKYRPAZ-UHFFFAOYSA-N
MW357.52 g/mol
LogP4.12
Rot. Bonds13

About 2,4-diethoxy-N-octylbenzenesulfonamide

2,4-diethoxy-N-octylbenzenesulfonamide (PubChem CID 67803858) has the molecular formula C18H31NO4S and a molecular weight of 357.52 g/mol. Its IUPAC name is 2,4-diethoxy-N-octylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-diethoxy-N-octylbenzenesulfonamide
PubChem CID67803858
Molecular FormulaC18H31NO4S
Molecular Weight357.52 g/mol
Exact Mass357.20
IUPAC Name2,4-diethoxy-N-octylbenzenesulfonamide
SMILESCCCCCCCCNS(=O)(=O)c1ccc(OCC)cc1OCC
InChIInChI=1S/C18H31NO4S/c1-4-7-8-9-10-11-14-19-24(20,21)18-13-12-16(22-5-2)15-17(18)23-6-3/h12-13,15,19H,4-11,14H2,1-3H3
InChIKeyUGDMBMNGKYRPAZ-UHFFFAOYSA-N
XLogP4.12
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 54.12
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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Related Compounds

N-heptyl-2,5-dimethoxybenzenesulfonamide
CID 19681274
2,5-dimethoxy-N-octylbenzenesulfonamide
CID 19681340
5-amino-N-butyl-2-ethoxybenzenesulfonamide
CID 43662916
2,4-diethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzenesulfonamide
CID 30366154
4-butoxy-N-pentylbenzenesulfonamide
CID 139844176
2,4-dibutoxybenzenesulfonic acid
CID 23120668
N-butyl-3,4-diethoxybenzenesulfonamide
CID 40747179
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2,4-diethoxybenzenesulfonamide
CID 122354494
N-(6-hydroxyhexyl)-2,4-dimethoxybenzenesulfonamide
CID 103918378
N-[2-(3,5-dimethylphenoxy)ethyl]-2,5-diethoxybenzenesulfonamide
CID 30365980
N-decyl-2,5-dimethylbenzenesulfonamide
CID 19681411
2,5-dimethyl-N-undecylbenzenesulfonamide
CID 19681448

Frequently Asked Questions

What is the IUPAC name of 2,4-diethoxy-N-octylbenzenesulfonamide?
The IUPAC name of 2,4-diethoxy-N-octylbenzenesulfonamide (CID 67803858) is 2,4-diethoxy-N-octylbenzenesulfonamide.
What is the SMILES notation for 2,4-diethoxy-N-octylbenzenesulfonamide?
The canonical SMILES for 2,4-diethoxy-N-octylbenzenesulfonamide is CCCCCCCCNS(=O)(=O)c1ccc(OCC)cc1OCC.
What is the InChIKey of 2,4-diethoxy-N-octylbenzenesulfonamide?
The InChIKey is UGDMBMNGKYRPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO4S/c1-4-7-8-9-10-11-14-19-24(20,21)18-13-12-16(22-5-2)15-17(18)23-6-3/h12-13,15,19H,4-11,14H2,1-3H3.
What are the key properties of 2,4-diethoxy-N-octylbenzenesulfonamide?
2,4-diethoxy-N-octylbenzenesulfonamide has a molecular weight of 357.52 g/mol, XLogP of 4.12, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethoxy-N-octylbenzenesulfonamide is sourced from PubChem (CID 67803858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).