N-(4-ethoxyphenyl)-2-iodo-N-(4-methylphenyl)sulfonylbenzamide

C22H20INO4S — CID 19219342

IUPACN-(4-ethoxyphenyl)-2-iodo-N-(4-methylphenyl)sulfonylbenzamide
SMILESCCOc1ccc(N(C(=O)c2ccccc2I)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H20INO4S/c1-3-28-18-12-10-17(11-13-18)24(22(25)20-6-4-5-7-21(20)23)29(26,27)19-14-8-16(2)9-15-19/h4-15H,3H2,1-2H3
InChIKeyFXNVJOWTLOBHOA-UHFFFAOYSA-N
MW521.38 g/mol
LogP5.03
Rot. Bonds6

About N-(4-ethoxyphenyl)-2-iodo-N-(4-methylphenyl)sulfonylbenzamide

N-(4-ethoxyphenyl)-2-iodo-N-(4-methylphenyl)sulfonylbenzamide (PubChem CID 19219342) has the molecular formula C22H20INO4S and a molecular weight of 521.38 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-iodo-N-(4-methylphenyl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-iodo-N-(4-methylphenyl)sulfonylbenzamide
PubChem CID19219342
Molecular FormulaC22H20INO4S
Molecular Weight521.38 g/mol
Exact Mass521.02
IUPAC NameN-(4-ethoxyphenyl)-2-iodo-N-(4-methylphenyl)sulfonylbenzamide
SMILESCCOc1ccc(N(C(=O)c2ccccc2I)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H20INO4S/c1-3-28-18-12-10-17(11-13-18)24(22(25)20-6-4-5-7-21(20)23)29(26,27)19-14-8-16(2)9-15-19/h4-15H,3H2,1-2H3
InChIKeyFXNVJOWTLOBHOA-UHFFFAOYSA-N
XLogP5.03
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.38
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethoxyphenyl)-N-(4-methylphenyl)sulfonyl-4-phenylbenzamide
CID 19211132
N-(benzenesulfonyl)-N-(4-ethoxyphenyl)-2-methoxybenzamide
CID 19210850
N-(4-ethoxyphenyl)-2-(4-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide
CID 19212681
4-tert-butyl-N-(4-ethoxyphenyl)-N-(4-methylphenyl)sulfonylbenzamide
CID 19211038
2-methoxy-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylbenzamide
CID 1322535
N-(4-ethoxyphenyl)-N-(4-methylphenyl)sulfonylcyclopropanecarboxamide
CID 19219517
N-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-phenoxyacetamide
CID 19212618
N-(benzenesulfonyl)-2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 19212675
N-(4-ethylphenyl)-2-methoxy-N-(4-methylphenyl)sulfonylbenzamide
CID 19210849
N-(4-ethoxyphenyl)-2-(3-methoxyphenoxy)-N-(4-methylphenyl)sulfonylacetamide
CID 19220163
N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonyl-2-(2-phenylethyl)benzamide
CID 19210204
N-(4-ethoxyphenyl)-4-(3-methylphenoxy)-N-(4-methylphenyl)sulfonylbutanamide
CID 19218720

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-iodo-N-(4-methylphenyl)sulfonylbenzamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-iodo-N-(4-methylphenyl)sulfonylbenzamide (CID 19219342) is N-(4-ethoxyphenyl)-2-iodo-N-(4-methylphenyl)sulfonylbenzamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-iodo-N-(4-methylphenyl)sulfonylbenzamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-iodo-N-(4-methylphenyl)sulfonylbenzamide is CCOc1ccc(N(C(=O)c2ccccc2I)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-iodo-N-(4-methylphenyl)sulfonylbenzamide?
The InChIKey is FXNVJOWTLOBHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20INO4S/c1-3-28-18-12-10-17(11-13-18)24(22(25)20-6-4-5-7-21(20)23)29(26,27)19-14-8-16(2)9-15-19/h4-15H,3H2,1-2H3.
What are the key properties of N-(4-ethoxyphenyl)-2-iodo-N-(4-methylphenyl)sulfonylbenzamide?
N-(4-ethoxyphenyl)-2-iodo-N-(4-methylphenyl)sulfonylbenzamide has a molecular weight of 521.38 g/mol, XLogP of 5.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-iodo-N-(4-methylphenyl)sulfonylbenzamide is sourced from PubChem (CID 19219342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).