1-acetyl-2-iodo-N-phenyl-2,3-dihydroindole-5-sulfonamide

C16H15IN2O3S — CID 89426561

IUPAC1-acetyl-2-iodo-N-phenyl-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)Nc3ccccc3)cc2CC1I
InChIInChI=1S/C16H15IN2O3S/c1-11(20)19-15-8-7-14(9-12(15)10-16(19)17)23(21,22)18-13-5-3-2-4-6-13/h2-9,16,18H,10H2,1H3
InChIKeyCXMUNWBNJSYVTO-UHFFFAOYSA-N
MW442.28 g/mol
LogP3.16
Rot. Bonds3

About 1-acetyl-2-iodo-N-phenyl-2,3-dihydroindole-5-sulfonamide

1-acetyl-2-iodo-N-phenyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 89426561) has the molecular formula C16H15IN2O3S and a molecular weight of 442.28 g/mol. Its IUPAC name is 1-acetyl-2-iodo-N-phenyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-2-iodo-N-phenyl-2,3-dihydroindole-5-sulfonamide
PubChem CID89426561
Molecular FormulaC16H15IN2O3S
Molecular Weight442.28 g/mol
Exact Mass441.98
IUPAC Name1-acetyl-2-iodo-N-phenyl-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)Nc3ccccc3)cc2CC1I
InChIInChI=1S/C16H15IN2O3S/c1-11(20)19-15-8-7-14(9-12(15)10-16(19)17)23(21,22)18-13-5-3-2-4-6-13/h2-9,16,18H,10H2,1H3
InChIKeyCXMUNWBNJSYVTO-UHFFFAOYSA-N
XLogP3.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.28
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]phenyl]acetamide
CID 28737727
1-acetyl-N-(3,5-difluorophenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 51299300
(2R)-1-acetyl-N-(3,4-dimethylphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 40637751
(2S)-1-acetyl-N-(3,4-dimethylphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 40637750
1-acetyl-2-methyl-N-[4-(propylsulfamoyl)phenyl]-2,3-dihydroindole-5-sulfonamide
CID 43053461
N-[3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 43055164
dimethyl 5-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]benzene-1,3-dicarboxylate
CID 131842012
(2R)-1-acetyl-N-benzyl-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 41098800
ethyl 4-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]benzoate
CID 40653874
1-acetyl-2-methyl-N-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide
CID 15991770
(2R)-1-acetyl-2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]-2,3-dihydroindole-5-sulfonamide
CID 51963359
1-acetyl-2-methyl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-2,3-dihydroindole-5-sulfonamide
CID 121037080

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-2-iodo-N-phenyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-2-iodo-N-phenyl-2,3-dihydroindole-5-sulfonamide (CID 89426561) is 1-acetyl-2-iodo-N-phenyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-2-iodo-N-phenyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-2-iodo-N-phenyl-2,3-dihydroindole-5-sulfonamide is CC(=O)N1c2ccc(S(=O)(=O)Nc3ccccc3)cc2CC1I.
What is the InChIKey of 1-acetyl-2-iodo-N-phenyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is CXMUNWBNJSYVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IN2O3S/c1-11(20)19-15-8-7-14(9-12(15)10-16(19)17)23(21,22)18-13-5-3-2-4-6-13/h2-9,16,18H,10H2,1H3.
What are the key properties of 1-acetyl-2-iodo-N-phenyl-2,3-dihydroindole-5-sulfonamide?
1-acetyl-2-iodo-N-phenyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 442.28 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-2-iodo-N-phenyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 89426561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).