3-iodo-4-methoxy-N-[4-(prop-2-enylsulfamoyl)phenyl]benzamide

C17H17IN2O4S — CID 4929820

IUPAC3-iodo-4-methoxy-N-[4-(prop-2-enylsulfamoyl)phenyl]benzamide
SMILESC=CCNS(=O)(=O)c1ccc(NC(=O)c2ccc(OC)c(I)c2)cc1
InChIInChI=1S/C17H17IN2O4S/c1-3-10-19-25(22,23)14-7-5-13(6-8-14)20-17(21)12-4-9-16(24-2)15(18)11-12/h3-9,11,19H,1,10H2,2H3,(H,20,21)
InChIKeyLZYQUWHUAMUONK-UHFFFAOYSA-N
MW472.30 g/mol
LogP3.02
Rot. Bonds7

About 3-iodo-4-methoxy-N-[4-(prop-2-enylsulfamoyl)phenyl]benzamide

3-iodo-4-methoxy-N-[4-(prop-2-enylsulfamoyl)phenyl]benzamide (PubChem CID 4929820) has the molecular formula C17H17IN2O4S and a molecular weight of 472.30 g/mol. Its IUPAC name is 3-iodo-4-methoxy-N-[4-(prop-2-enylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-iodo-4-methoxy-N-[4-(prop-2-enylsulfamoyl)phenyl]benzamide
PubChem CID4929820
Molecular FormulaC17H17IN2O4S
Molecular Weight472.30 g/mol
Exact Mass472.00
IUPAC Name3-iodo-4-methoxy-N-[4-(prop-2-enylsulfamoyl)phenyl]benzamide
SMILESC=CCNS(=O)(=O)c1ccc(NC(=O)c2ccc(OC)c(I)c2)cc1
InChIInChI=1S/C17H17IN2O4S/c1-3-10-19-25(22,23)14-7-5-13(6-8-14)20-17(21)12-4-9-16(24-2)15(18)11-12/h3-9,11,19H,1,10H2,2H3,(H,20,21)
InChIKeyLZYQUWHUAMUONK-UHFFFAOYSA-N
XLogP3.02
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.30
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxyphenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 19258037
3-iodo-4-methoxy-N-(4-prop-2-enoxyphenyl)benzamide
CID 4952478
N-(3,4-dimethoxyphenyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 26695042
3,4-dimethoxy-N-[4-(prop-2-enylamino)phenyl]benzamide
CID 112980100
N,N-dimethyl-4-[[4-(prop-2-enylsulfamoyl)benzoyl]amino]benzamide
CID 34545917
methyl 3-oxo-3-[4-(prop-2-enylsulfamoyl)anilino]propanoate
CID 28637974
N-(4-anilinophenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 18278951
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-methoxy-3-prop-2-enylbenzamide
CID 21367927
N-(4-anilinophenyl)-3-iodo-4-methoxybenzamide
CID 1010448
3-iodo-4-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide
CID 17218730
2-(2-methoxyphenoxy)-N-[4-(prop-2-enylsulfamoyl)phenyl]acetamide
CID 4929859
N-[4-(2-methoxyethoxy)phenyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 46442034

Frequently Asked Questions

What is the IUPAC name of 3-iodo-4-methoxy-N-[4-(prop-2-enylsulfamoyl)phenyl]benzamide?
The IUPAC name of 3-iodo-4-methoxy-N-[4-(prop-2-enylsulfamoyl)phenyl]benzamide (CID 4929820) is 3-iodo-4-methoxy-N-[4-(prop-2-enylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 3-iodo-4-methoxy-N-[4-(prop-2-enylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 3-iodo-4-methoxy-N-[4-(prop-2-enylsulfamoyl)phenyl]benzamide is C=CCNS(=O)(=O)c1ccc(NC(=O)c2ccc(OC)c(I)c2)cc1.
What is the InChIKey of 3-iodo-4-methoxy-N-[4-(prop-2-enylsulfamoyl)phenyl]benzamide?
The InChIKey is LZYQUWHUAMUONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17IN2O4S/c1-3-10-19-25(22,23)14-7-5-13(6-8-14)20-17(21)12-4-9-16(24-2)15(18)11-12/h3-9,11,19H,1,10H2,2H3,(H,20,21).
What are the key properties of 3-iodo-4-methoxy-N-[4-(prop-2-enylsulfamoyl)phenyl]benzamide?
3-iodo-4-methoxy-N-[4-(prop-2-enylsulfamoyl)phenyl]benzamide has a molecular weight of 472.30 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-4-methoxy-N-[4-(prop-2-enylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 4929820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).