4-iodo-N-(3-methylsulfonylpropyl)benzamide

C11H14INO3S — CID 47261727

IUPAC4-iodo-N-(3-methylsulfonylpropyl)benzamide
SMILESCS(=O)(=O)CCCNC(=O)c1ccc(I)cc1
InChIInChI=1S/C11H14INO3S/c1-17(15,16)8-2-7-13-11(14)9-3-5-10(12)6-4-9/h3-6H,2,7-8H2,1H3,(H,13,14)
InChIKeyQWHDSIRNPJEJQO-UHFFFAOYSA-N
MW367.21 g/mol
LogP1.46
Rot. Bonds5

About 4-iodo-N-(3-methylsulfonylpropyl)benzamide

4-iodo-N-(3-methylsulfonylpropyl)benzamide (PubChem CID 47261727) has the molecular formula C11H14INO3S and a molecular weight of 367.21 g/mol. Its IUPAC name is 4-iodo-N-(3-methylsulfonylpropyl)benzamide.

Molecular Properties

Compound Name4-iodo-N-(3-methylsulfonylpropyl)benzamide
PubChem CID47261727
Molecular FormulaC11H14INO3S
Molecular Weight367.21 g/mol
Exact Mass366.97
IUPAC Name4-iodo-N-(3-methylsulfonylpropyl)benzamide
SMILESCS(=O)(=O)CCCNC(=O)c1ccc(I)cc1
InChIInChI=1S/C11H14INO3S/c1-17(15,16)8-2-7-13-11(14)9-3-5-10(12)6-4-9/h3-6H,2,7-8H2,1H3,(H,13,14)
InChIKeyQWHDSIRNPJEJQO-UHFFFAOYSA-N
XLogP1.46
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.21
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-(3-methylsulfonylpropyl)benzamide
CID 60859209
5-iodo-N-(3-methylsulfonylpropyl)thiophene-3-carboxamide
CID 78949717
4-(N'-hydroxycarbamimidoyl)-N-(3-methylsulfonylpropyl)benzamide
CID 76930247
2-hydroxy-5-iodo-N-(3-methylsulfonylpropyl)benzamide
CID 113226265
4-iodo-N-(3-iodopropyl)benzamide
CID 114504016
4-(3-methylsulfonylpropylcarbamoyl)phthalic acid
CID 20769742
3-bromo-4-methyl-N-(3-methylsulfonylpropyl)benzamide
CID 79466574
4-bromo-3-hydroxy-N-(3-methylsulfonylpropyl)benzamide
CID 103830547
4-iodo-N-(6-iodohexyl)benzamide
CID 107848472
4-(chloromethyl)-N-(2-methylsulfonylethyl)benzamide
CID 54931961
4-bromo-3-chloro-N-(3-methylsulfonylpropyl)benzamide
CID 80972971
N-(2-methylsulfonylethyl)-4-sulfanylbenzamide
CID 107023639

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-(3-methylsulfonylpropyl)benzamide?
The IUPAC name of 4-iodo-N-(3-methylsulfonylpropyl)benzamide (CID 47261727) is 4-iodo-N-(3-methylsulfonylpropyl)benzamide.
What is the SMILES notation for 4-iodo-N-(3-methylsulfonylpropyl)benzamide?
The canonical SMILES for 4-iodo-N-(3-methylsulfonylpropyl)benzamide is CS(=O)(=O)CCCNC(=O)c1ccc(I)cc1.
What is the InChIKey of 4-iodo-N-(3-methylsulfonylpropyl)benzamide?
The InChIKey is QWHDSIRNPJEJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14INO3S/c1-17(15,16)8-2-7-13-11(14)9-3-5-10(12)6-4-9/h3-6H,2,7-8H2,1H3,(H,13,14).
What are the key properties of 4-iodo-N-(3-methylsulfonylpropyl)benzamide?
4-iodo-N-(3-methylsulfonylpropyl)benzamide has a molecular weight of 367.21 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-(3-methylsulfonylpropyl)benzamide is sourced from PubChem (CID 47261727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).