1-(1H-indol-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine

C19H19N3O2S — CID 135719312

IUPAC1-(1H-indol-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine
SMILESO=S(=O)(c1ccc(/N=C/c2c[nH]c3ccccc23)cc1)N1CCCC1
InChIInChI=1S/C19H19N3O2S/c23-25(24,22-11-3-4-12-22)17-9-7-16(8-10-17)20-13-15-14-21-19-6-2-1-5-18(15)19/h1-2,5-10,13-14,21H,3-4,11-12H2/b20-13+
InChIKeyZJPXPBUQRFQXNN-DEDYPNTBSA-N
MW353.45 g/mol
LogP3.70
Rot. Bonds4

About 1-(1H-indol-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine

1-(1H-indol-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine (PubChem CID 135719312) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine
PubChem CID135719312
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name1-(1H-indol-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine
SMILESO=S(=O)(c1ccc(/N=C/c2c[nH]c3ccccc23)cc1)N1CCCC1
InChIInChI=1S/C19H19N3O2S/c23-25(24,22-11-3-4-12-22)17-9-7-16(8-10-17)20-13-15-14-21-19-6-2-1-5-18(15)19/h1-2,5-10,13-14,21H,3-4,11-12H2/b20-13+
InChIKeyZJPXPBUQRFQXNN-DEDYPNTBSA-N
XLogP3.70
TPSA65.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.70
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

1-(2-methylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)methanimine
CID 910303
N-[2-[(2Z)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 136755725
1-[(4-pyrrolidin-1-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol
CID 5178626
1-(1H-indol-3-yl)-N-[4-[2-[4-(1H-indol-3-ylmethylideneamino)phenyl]ethyl]phenyl]methanimine
CID 177388523
(E)-1-(1H-indol-3-yl)-N-piperidin-1-ylmethanimine
CID 135675955
1-(1H-indol-3-yl)-N-(4-propan-2-ylphenyl)methanimine
CID 3459519
4-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]benzene-1,3-diol
CID 4512993
1-(2,4-dimethylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)methanimine
CID 23941120
1-(4-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine
CID 969315
2,4-dibromo-6-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol
CID 135778678
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1-naphthalen-1-ylmethanimine
CID 5164537
1-(9-ethylcarbazol-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine
CID 4570449

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine?
The IUPAC name of 1-(1H-indol-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine (CID 135719312) is 1-(1H-indol-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine.
What is the SMILES notation for 1-(1H-indol-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine?
The canonical SMILES for 1-(1H-indol-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine is O=S(=O)(c1ccc(/N=C/c2c[nH]c3ccccc23)cc1)N1CCCC1.
What is the InChIKey of 1-(1H-indol-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine?
The InChIKey is ZJPXPBUQRFQXNN-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H19N3O2S/c23-25(24,22-11-3-4-12-22)17-9-7-16(8-10-17)20-13-15-14-21-19-6-2-1-5-18(15)19/h1-2,5-10,13-14,21H,3-4,11-12H2/b20-13+.
What are the key properties of 1-(1H-indol-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine?
1-(1H-indol-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine has a molecular weight of 353.45 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine is sourced from PubChem (CID 135719312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).