N-[2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]cyclopropyl]-1-(1H-indol-3-yl)methanimine

C26H23N3O2S — CID 138734685

IUPACN-[2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]cyclopropyl]-1-(1H-indol-3-yl)methanimine
SMILESO=S(=O)(c1ccccc1)N1CCc2cc(C3CC3/N=C/c3c[nH]c4ccccc34)ccc21
InChIInChI=1S/C26H23N3O2S/c30-32(31,21-6-2-1-3-7-21)29-13-12-19-14-18(10-11-26(19)29)23-15-25(23)28-17-20-16-27-24-9-5-4-8-22(20)24/h1-11,14,16-17,23,25,27H,12-13,15H2/b28-17+
InChIKeyJTAGSYVMDWXXOS-OGLMXYFKSA-N
MW441.56 g/mol
LogP4.89
Rot. Bonds5

About N-[2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]cyclopropyl]-1-(1H-indol-3-yl)methanimine

N-[2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]cyclopropyl]-1-(1H-indol-3-yl)methanimine (PubChem CID 138734685) has the molecular formula C26H23N3O2S and a molecular weight of 441.56 g/mol. Its IUPAC name is N-[2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]cyclopropyl]-1-(1H-indol-3-yl)methanimine.

Molecular Properties

Compound NameN-[2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]cyclopropyl]-1-(1H-indol-3-yl)methanimine
PubChem CID138734685
Molecular FormulaC26H23N3O2S
Molecular Weight441.56 g/mol
Exact Mass441.15
IUPAC NameN-[2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]cyclopropyl]-1-(1H-indol-3-yl)methanimine
SMILESO=S(=O)(c1ccccc1)N1CCc2cc(C3CC3/N=C/c3c[nH]c4ccccc34)ccc21
InChIInChI=1S/C26H23N3O2S/c30-32(31,21-6-2-1-3-7-21)29-13-12-19-14-18(10-11-26(19)29)23-15-25(23)28-17-20-16-27-24-9-5-4-8-22(20)24/h1-11,14,16-17,23,25,27H,12-13,15H2/b28-17+
InChIKeyJTAGSYVMDWXXOS-OGLMXYFKSA-N
XLogP4.89
TPSA65.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.56
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

trans-(1R,2S)-2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]cyclopropan-1-amine
CID 137422519
trans-(1R,2S)-2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-N-(1-phenylethyl)cyclopropan-1-amine
CID 138734639
1-(benzenesulfonyl)-5-[2-[2-(oxan-4-yl)ethyl]cyclopropyl]-2,3-dihydroindole
CID 159132261
1-(benzenesulfonyl)-5-(1-propylpiperidin-4-yl)-2,3-dihydroindole
CID 155566888
1-(benzenesulfonyl)-5-methyl-2,3-dihydroindole
CID 110713907
1-(benzenesulfonyl)-2,3-dihydroindol-5-amine
CID 16642564
1-(benzenesulfonyl)-N-cyclopropyl-N-phenyl-2,3-dihydroindol-5-amine
CID 175252645
2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]propanal
CID 174519680
1-(1H-indol-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine
CID 135719312
1-(benzenesulfonyl)-5-(4-methylpiperazin-1-yl)-2,3-dihydroindole
CID 155552356
3-[1-(benzenesulfonyl)pyrrolidin-3-yl]-1H-indole
CID 110711055
1-(4-cyclohexylphenyl)sulfonyl-2,3-dihydroindole
CID 893382

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]cyclopropyl]-1-(1H-indol-3-yl)methanimine?
The IUPAC name of N-[2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]cyclopropyl]-1-(1H-indol-3-yl)methanimine (CID 138734685) is N-[2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]cyclopropyl]-1-(1H-indol-3-yl)methanimine.
What is the SMILES notation for N-[2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]cyclopropyl]-1-(1H-indol-3-yl)methanimine?
The canonical SMILES for N-[2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]cyclopropyl]-1-(1H-indol-3-yl)methanimine is O=S(=O)(c1ccccc1)N1CCc2cc(C3CC3/N=C/c3c[nH]c4ccccc34)ccc21.
What is the InChIKey of N-[2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]cyclopropyl]-1-(1H-indol-3-yl)methanimine?
The InChIKey is JTAGSYVMDWXXOS-OGLMXYFKSA-N. The full InChI is InChI=1S/C26H23N3O2S/c30-32(31,21-6-2-1-3-7-21)29-13-12-19-14-18(10-11-26(19)29)23-15-25(23)28-17-20-16-27-24-9-5-4-8-22(20)24/h1-11,14,16-17,23,25,27H,12-13,15H2/b28-17+.
What are the key properties of N-[2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]cyclopropyl]-1-(1H-indol-3-yl)methanimine?
N-[2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]cyclopropyl]-1-(1H-indol-3-yl)methanimine has a molecular weight of 441.56 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]cyclopropyl]-1-(1H-indol-3-yl)methanimine is sourced from PubChem (CID 138734685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).