N-(2,5-diethoxyphenyl)-4-iodobenzenesulfonamide

C16H18INO4S — CID 3792893

IUPACN-(2,5-diethoxyphenyl)-4-iodobenzenesulfonamide
SMILESCCOc1ccc(OCC)c(NS(=O)(=O)c2ccc(I)cc2)c1
InChIInChI=1S/C16H18INO4S/c1-3-21-13-7-10-16(22-4-2)15(11-13)18-23(19,20)14-8-5-12(17)6-9-14/h5-11,18H,3-4H2,1-2H3
InChIKeyBMUVEJFQDPSHMZ-UHFFFAOYSA-N
MW447.29 g/mol
LogP3.89
Rot. Bonds7

About N-(2,5-diethoxyphenyl)-4-iodobenzenesulfonamide

N-(2,5-diethoxyphenyl)-4-iodobenzenesulfonamide (PubChem CID 3792893) has the molecular formula C16H18INO4S and a molecular weight of 447.29 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-4-iodobenzenesulfonamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-4-iodobenzenesulfonamide
PubChem CID3792893
Molecular FormulaC16H18INO4S
Molecular Weight447.29 g/mol
Exact Mass447.00
IUPAC NameN-(2,5-diethoxyphenyl)-4-iodobenzenesulfonamide
SMILESCCOc1ccc(OCC)c(NS(=O)(=O)c2ccc(I)cc2)c1
InChIInChI=1S/C16H18INO4S/c1-3-21-13-7-10-16(22-4-2)15(11-13)18-23(19,20)14-8-5-12(17)6-9-14/h5-11,18H,3-4H2,1-2H3
InChIKeyBMUVEJFQDPSHMZ-UHFFFAOYSA-N
XLogP3.89
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.29
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-N-(2-ethoxyphenyl)benzenesulfonamide
CID 7559506
N-(2,5-diethoxyphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 46807478
5-bromo-N-(2,5-diethoxyphenyl)thiophene-2-sulfonamide
CID 3868034
2-bromo-N-(2,5-diethoxyphenyl)-4-methylbenzenesulfonamide
CID 35530767
3,4-diethoxy-N-(4-iodo-2-methylphenyl)benzenesulfonamide
CID 60597563
N-(5-chloro-2-ethoxyphenyl)benzenesulfonamide
CID 47310702
1-(cyclopropanecarbonyl)-N-(2,5-diethoxyphenyl)-2,3-dihydroindole-5-sulfonamide
CID 15996803
N-(2,5-diethoxyphenyl)-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide
CID 20927097
N-(4-chloro-2-methoxyphenyl)-4-ethoxybenzenesulfonamide
CID 155537500
2-[(2,5-diethoxyphenyl)sulfamoyl]propanoic acid
CID 61454221
5-acetyl-N-(2,5-diethoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine-7-sulfonamide
CID 53083633
N-(2-amino-4-ethoxyphenyl)benzenesulfonamide
CID 91687393

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-4-iodobenzenesulfonamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-4-iodobenzenesulfonamide (CID 3792893) is N-(2,5-diethoxyphenyl)-4-iodobenzenesulfonamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-4-iodobenzenesulfonamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-4-iodobenzenesulfonamide is CCOc1ccc(OCC)c(NS(=O)(=O)c2ccc(I)cc2)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-4-iodobenzenesulfonamide?
The InChIKey is BMUVEJFQDPSHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18INO4S/c1-3-21-13-7-10-16(22-4-2)15(11-13)18-23(19,20)14-8-5-12(17)6-9-14/h5-11,18H,3-4H2,1-2H3.
What are the key properties of N-(2,5-diethoxyphenyl)-4-iodobenzenesulfonamide?
N-(2,5-diethoxyphenyl)-4-iodobenzenesulfonamide has a molecular weight of 447.29 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-4-iodobenzenesulfonamide is sourced from PubChem (CID 3792893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).