1-(1H-imidazol-5-ylsulfonyl)-2,3-dihydroindole

C11H11N3O2S — CID 3238261

IUPAC1-(1H-imidazol-5-ylsulfonyl)-2,3-dihydroindole
SMILESO=S(=O)(c1cnc[nH]1)N1CCc2ccccc21
InChIInChI=1S/C11H11N3O2S/c15-17(16,11-7-12-8-13-11)14-6-5-9-3-1-2-4-10(9)14/h1-4,7-8H,5-6H2,(H,12,13)
InChIKeyDMXKEAYPZQASHQ-UHFFFAOYSA-N
MW249.30 g/mol
LogP1.16
Rot. Bonds2

About 1-(1H-imidazol-5-ylsulfonyl)-2,3-dihydroindole

1-(1H-imidazol-5-ylsulfonyl)-2,3-dihydroindole (PubChem CID 3238261) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is 1-(1H-imidazol-5-ylsulfonyl)-2,3-dihydroindole.

Molecular Properties

Compound Name1-(1H-imidazol-5-ylsulfonyl)-2,3-dihydroindole
PubChem CID3238261
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Name1-(1H-imidazol-5-ylsulfonyl)-2,3-dihydroindole
SMILESO=S(=O)(c1cnc[nH]1)N1CCc2ccccc21
InChIInChI=1S/C11H11N3O2S/c15-17(16,11-7-12-8-13-11)14-6-5-9-3-1-2-4-10(9)14/h1-4,7-8H,5-6H2,(H,12,13)
InChIKeyDMXKEAYPZQASHQ-UHFFFAOYSA-N
XLogP1.16
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-Chloro-2-methylphenyl)-4-(1H-imidazole-4-sulfonyl)piperazine
CID 5307520
1-(1H-imidazol-5-ylsulfonyl)-4-phenylpiperazine
CID 11957294
1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole
CID 24956883
1-(1-methylimidazol-4-yl)sulfonyl-N-(3-methylphenyl)-4-phenylpyrrolidin-3-amine
CID 90404564
1-(1-methylimidazol-4-yl)sulfonyl-N,4-diphenylpyrrolidin-3-amine
CID 90404972
1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]indoline
CID 3237010
N~2~-(1H-imidazol-4-ylsulfonyl)-N~2~-methyl-N~1~-(3-methylphenyl)glycinamide
CID 3238708
N-(3-methylphenyl)-1H-imidazole-5-sulfonamide
CID 3658049
1-(4-fluorophenyl)-4-(1H-imidazol-4-ylsulfonyl)piperazine
CID 16195463
N-(2-(((1H-imidazol-5-yl)methyl)(phenyl)amino)ethyl)-N-benzyl-1-methyl-1H-imidazole-4-sulfonamide
CID 11178452
1-(1-methylimidazol-4-yl)sulfonyl-N-(4-methylphenyl)-4-phenylpyrrolidin-3-amine
CID 90405495
1-(1-methylimidazol-4-yl)sulfonyl-N-(2-methylphenyl)-4-phenylpyrrolidin-3-amine
CID 90405893

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)-2,3-dihydroindole?
The IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)-2,3-dihydroindole (CID 3238261) is 1-(1H-imidazol-5-ylsulfonyl)-2,3-dihydroindole.
What is the SMILES notation for 1-(1H-imidazol-5-ylsulfonyl)-2,3-dihydroindole?
The canonical SMILES for 1-(1H-imidazol-5-ylsulfonyl)-2,3-dihydroindole is O=S(=O)(c1cnc[nH]1)N1CCc2ccccc21.
What is the InChIKey of 1-(1H-imidazol-5-ylsulfonyl)-2,3-dihydroindole?
The InChIKey is DMXKEAYPZQASHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c15-17(16,11-7-12-8-13-11)14-6-5-9-3-1-2-4-10(9)14/h1-4,7-8H,5-6H2,(H,12,13).
What are the key properties of 1-(1H-imidazol-5-ylsulfonyl)-2,3-dihydroindole?
1-(1H-imidazol-5-ylsulfonyl)-2,3-dihydroindole has a molecular weight of 249.30 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-ylsulfonyl)-2,3-dihydroindole is sourced from PubChem (CID 3238261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).