2-iodo-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide

C18H19IN2O4S — CID 38020238

IUPAC2-iodo-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccccc1I
InChIInChI=1S/C18H19IN2O4S/c1-25-17-9-8-13(26(23,24)21-10-4-5-11-21)12-16(17)20-18(22)14-6-2-3-7-15(14)19/h2-3,6-9,12H,4-5,10-11H2,1H3,(H,20,22)
InChIKeyXNNPJOIXHXGDBH-UHFFFAOYSA-N
MW486.33 g/mol
LogP3.34
Rot. Bonds5

About 2-iodo-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide

2-iodo-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide (PubChem CID 38020238) has the molecular formula C18H19IN2O4S and a molecular weight of 486.33 g/mol. Its IUPAC name is 2-iodo-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name2-iodo-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
PubChem CID38020238
Molecular FormulaC18H19IN2O4S
Molecular Weight486.33 g/mol
Exact Mass486.01
IUPAC Name2-iodo-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccccc1I
InChIInChI=1S/C18H19IN2O4S/c1-25-17-9-8-13(26(23,24)21-10-4-5-11-21)12-16(17)20-18(22)14-6-2-3-7-15(14)19/h2-3,6-9,12H,4-5,10-11H2,1H3,(H,20,22)
InChIKeyXNNPJOIXHXGDBH-UHFFFAOYSA-N
XLogP3.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.33
LogP ≤ 53.34
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

2-fluoro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4799979
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylbenzamide
CID 8746944
2-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-methylbenzamide
CID 9046765
3,4,5-trimethoxy-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 99952849
2-[benzyl(methylsulfonyl)amino]-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 46771335
5-(azepan-1-ylsulfonyl)-2-methoxy-N-(2-methylphenyl)benzamide
CID 7946811
5-(benzenesulfonamido)-2-chloro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 46770117
2-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-methylsulfanylbenzamide
CID 16615167
2-methoxy-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-5-piperidin-1-ylsulfonylbenzamide
CID 28575609
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3,5-dichlorobenzamide
CID 26206912
N-(2-methoxyphenyl)-2-(methylamino)-5-piperidin-1-ylsulfonylbenzamide
CID 146301697
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1,6-dimethyl-2-oxopyridine-3-carboxamide
CID 46972391

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 2-iodo-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide (CID 38020238) is 2-iodo-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 2-iodo-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 2-iodo-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide is COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccccc1I.
What is the InChIKey of 2-iodo-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is XNNPJOIXHXGDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19IN2O4S/c1-25-17-9-8-13(26(23,24)21-10-4-5-11-21)12-16(17)20-18(22)14-6-2-3-7-15(14)19/h2-3,6-9,12H,4-5,10-11H2,1H3,(H,20,22).
What are the key properties of 2-iodo-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide?
2-iodo-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 486.33 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 38020238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).