5-iodo-3-[methoxy(methyl)sulfamoyl]-1H-indole-2-carboxamide

C11H12IN3O4S — CID 11742225

IUPAC5-iodo-3-[methoxy(methyl)sulfamoyl]-1H-indole-2-carboxamide
SMILESCON(C)S(=O)(=O)c1c(C(N)=O)[nH]c2ccc(I)cc12
InChIInChI=1S/C11H12IN3O4S/c1-15(19-2)20(17,18)10-7-5-6(12)3-4-8(7)14-9(10)11(13)16/h3-5,14H,1-2H3,(H2,13,16)
InChIKeyIUNBDMSZHTYFDJ-UHFFFAOYSA-N
MW409.21 g/mol
LogP1.05
Rot. Bonds4

About 5-iodo-3-[methoxy(methyl)sulfamoyl]-1H-indole-2-carboxamide

5-iodo-3-[methoxy(methyl)sulfamoyl]-1H-indole-2-carboxamide (PubChem CID 11742225) has the molecular formula C11H12IN3O4S and a molecular weight of 409.21 g/mol. Its IUPAC name is 5-iodo-3-[methoxy(methyl)sulfamoyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-iodo-3-[methoxy(methyl)sulfamoyl]-1H-indole-2-carboxamide
PubChem CID11742225
Molecular FormulaC11H12IN3O4S
Molecular Weight409.21 g/mol
Exact Mass408.96
IUPAC Name5-iodo-3-[methoxy(methyl)sulfamoyl]-1H-indole-2-carboxamide
SMILESCON(C)S(=O)(=O)c1c(C(N)=O)[nH]c2ccc(I)cc12
InChIInChI=1S/C11H12IN3O4S/c1-15(19-2)20(17,18)10-7-5-6(12)3-4-8(7)14-9(10)11(13)16/h3-5,14H,1-2H3,(H2,13,16)
InChIKeyIUNBDMSZHTYFDJ-UHFFFAOYSA-N
XLogP1.05
TPSA105.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.21
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-3-[2-hydroxyethyl(methyl)sulfamoyl]-1H-indole-2-carboxamide
CID 10471920
5-chloro-3-[methyl(oxan-4-yl)sulfamoyl]-1H-indole-2-carboxamide
CID 10067849
5-amino-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide
CID 69088329
5-chloro-3-(propylsulfamoyl)-1H-indole-2-carboxamide
CID 10425860
5-iodo-3-[(2S)-2-(phenoxymethyl)morpholin-4-yl]sulfonyl-1H-indole-2-carboxamide
CID 10007487
5-chloro-3-(4-chlorophenyl)sulfonyl-1H-indole-2-carboxamide
CID 506869
5-bromo-3-[2-[(5-bromo-2-methoxyphenyl)sulfonylamino]ethylsulfamoyl]-1H-indole-2-carboxamide
CID 10348762
5-chloro-3-[methyl(oxan-2-ylmethyl)sulfamoyl]-1H-indole-2-carboxamide
CID 10385429
4-[methoxy(methyl)sulfamoyl]benzamide
CID 47116565
1-chloro-4-methylbenzene;5-chloro-3-(methylsulfamoyl)-1H-indole-2-carboxamide
CID 162220092
5-bromo-3-[2-(4-methoxyanilino)ethylsulfamoyl]-1H-indole-2-carboxamide
CID 10073258
5-chloro-3-[iodo(methoxy)phosphoryl]-1H-indole-2-carboxamide
CID 88896255

Frequently Asked Questions

What is the IUPAC name of 5-iodo-3-[methoxy(methyl)sulfamoyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-iodo-3-[methoxy(methyl)sulfamoyl]-1H-indole-2-carboxamide (CID 11742225) is 5-iodo-3-[methoxy(methyl)sulfamoyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-iodo-3-[methoxy(methyl)sulfamoyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-iodo-3-[methoxy(methyl)sulfamoyl]-1H-indole-2-carboxamide is CON(C)S(=O)(=O)c1c(C(N)=O)[nH]c2ccc(I)cc12.
What is the InChIKey of 5-iodo-3-[methoxy(methyl)sulfamoyl]-1H-indole-2-carboxamide?
The InChIKey is IUNBDMSZHTYFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12IN3O4S/c1-15(19-2)20(17,18)10-7-5-6(12)3-4-8(7)14-9(10)11(13)16/h3-5,14H,1-2H3,(H2,13,16).
What are the key properties of 5-iodo-3-[methoxy(methyl)sulfamoyl]-1H-indole-2-carboxamide?
5-iodo-3-[methoxy(methyl)sulfamoyl]-1H-indole-2-carboxamide has a molecular weight of 409.21 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-3-[methoxy(methyl)sulfamoyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 11742225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).