1-(4-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine

C17H17ClN2O2S — CID 969315

IUPAC1-(4-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine
SMILESO=S(=O)(c1ccc(/N=C/c2ccc(Cl)cc2)cc1)N1CCCC1
InChIInChI=1S/C17H17ClN2O2S/c18-15-5-3-14(4-6-15)13-19-16-7-9-17(10-8-16)23(21,22)20-11-1-2-12-20/h3-10,13H,1-2,11-12H2/b19-13+
InChIKeyHEIKYKSNKMQEHI-CPNJWEJPSA-N
MW348.86 g/mol
LogP3.88
Rot. Bonds4

About 1-(4-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine

1-(4-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine (PubChem CID 969315) has the molecular formula C17H17ClN2O2S and a molecular weight of 348.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine
PubChem CID969315
Molecular FormulaC17H17ClN2O2S
Molecular Weight348.86 g/mol
Exact Mass348.07
IUPAC Name1-(4-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine
SMILESO=S(=O)(c1ccc(/N=C/c2ccc(Cl)cc2)cc1)N1CCCC1
InChIInChI=1S/C17H17ClN2O2S/c18-15-5-3-14(4-6-15)13-19-16-7-9-17(10-8-16)23(21,22)20-11-1-2-12-20/h3-10,13H,1-2,11-12H2/b19-13+
InChIKeyHEIKYKSNKMQEHI-CPNJWEJPSA-N
XLogP3.88
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.86
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]sulfonylpyrrolidine
CID 126478456
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-methoxyphenyl)methanimine
CID 4511187
N-(4-piperidin-1-ylsulfonylphenyl)-1-thiophen-3-ylmethanimine
CID 23819949
N-(4-morpholin-4-ylsulfonylphenyl)-1-phenylmethanimine
CID 968608
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(3-nitrophenyl)methanimine
CID 4511190
1-(2-methylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)methanimine
CID 910303
1-(4-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)methanimine
CID 3494713
1-(9-ethylcarbazol-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine
CID 4570449
N,N-dimethyl-4-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]iminomethyl]aniline
CID 5161686
N-(4-morpholin-4-ylsulfonylphenyl)-1-[3-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenyl]methanimine
CID 4105745
4-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]benzene-1,3-diol
CID 4512993
1-(2,4-dimethylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)methanimine
CID 23941120

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine?
The IUPAC name of 1-(4-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine (CID 969315) is 1-(4-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine?
The canonical SMILES for 1-(4-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine is O=S(=O)(c1ccc(/N=C/c2ccc(Cl)cc2)cc1)N1CCCC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine?
The InChIKey is HEIKYKSNKMQEHI-CPNJWEJPSA-N. The full InChI is InChI=1S/C17H17ClN2O2S/c18-15-5-3-14(4-6-15)13-19-16-7-9-17(10-8-16)23(21,22)20-11-1-2-12-20/h3-10,13H,1-2,11-12H2/b19-13+.
What are the key properties of 1-(4-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine?
1-(4-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine has a molecular weight of 348.86 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine is sourced from PubChem (CID 969315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).