N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-1-(2,6-dichlorophenyl)methanimine

C18H17Cl3N2O2S — CID 4176024

IUPACN-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-1-(2,6-dichlorophenyl)methanimine
SMILESO=S(=O)(c1ccc(Cl)c(/N=C/c2c(Cl)cccc2Cl)c1)N1CCCCC1
InChIInChI=1S/C18H17Cl3N2O2S/c19-15-5-4-6-16(20)14(15)12-22-18-11-13(7-8-17(18)21)26(24,25)23-9-2-1-3-10-23/h4-8,11-12H,1-3,9-10H2/b22-12+
InChIKeyJEKOYVGJHUZSQZ-WSDLNYQXSA-N
MW431.77 g/mol
LogP5.57
Rot. Bonds4

About N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-1-(2,6-dichlorophenyl)methanimine

N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-1-(2,6-dichlorophenyl)methanimine (PubChem CID 4176024) has the molecular formula C18H17Cl3N2O2S and a molecular weight of 431.77 g/mol. Its IUPAC name is N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-1-(2,6-dichlorophenyl)methanimine.

Molecular Properties

Compound NameN-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-1-(2,6-dichlorophenyl)methanimine
PubChem CID4176024
Molecular FormulaC18H17Cl3N2O2S
Molecular Weight431.77 g/mol
Exact Mass430.01
IUPAC NameN-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-1-(2,6-dichlorophenyl)methanimine
SMILESO=S(=O)(c1ccc(Cl)c(/N=C/c2c(Cl)cccc2Cl)c1)N1CCCCC1
InChIInChI=1S/C18H17Cl3N2O2S/c19-15-5-4-6-16(20)14(15)12-22-18-11-13(7-8-17(18)21)26(24,25)23-9-2-1-3-10-23/h4-8,11-12H,1-3,9-10H2/b22-12+
InChIKeyJEKOYVGJHUZSQZ-WSDLNYQXSA-N
XLogP5.57
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.77
LogP ≤ 55.57
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

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(2-chloro-5-piperidin-1-ylsulfonylphenyl)-piperidin-1-ylmethanone
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1-(3-methylsulfonylphenyl)sulfonylazepane
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1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine
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3-(azepan-1-ylsulfonyl)aniline
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N-(2-methoxy-4-piperidin-1-ylsulfonylphenyl)-1-pyridin-2-ylmethanimine
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1-(4-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine
CID 969315
2,7-bis(azepan-1-ylsulfonyl)fluoren-9-one
CID 981056
1-naphthalen-2-ylsulfonylpyrrolidine
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CID 2802043

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-1-(2,6-dichlorophenyl)methanimine?
The IUPAC name of N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-1-(2,6-dichlorophenyl)methanimine (CID 4176024) is N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-1-(2,6-dichlorophenyl)methanimine.
What is the SMILES notation for N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-1-(2,6-dichlorophenyl)methanimine?
The canonical SMILES for N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-1-(2,6-dichlorophenyl)methanimine is O=S(=O)(c1ccc(Cl)c(/N=C/c2c(Cl)cccc2Cl)c1)N1CCCCC1.
What is the InChIKey of N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-1-(2,6-dichlorophenyl)methanimine?
The InChIKey is JEKOYVGJHUZSQZ-WSDLNYQXSA-N. The full InChI is InChI=1S/C18H17Cl3N2O2S/c19-15-5-4-6-16(20)14(15)12-22-18-11-13(7-8-17(18)21)26(24,25)23-9-2-1-3-10-23/h4-8,11-12H,1-3,9-10H2/b22-12+.
What are the key properties of N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-1-(2,6-dichlorophenyl)methanimine?
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-1-(2,6-dichlorophenyl)methanimine has a molecular weight of 431.77 g/mol, XLogP of 5.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-1-(2,6-dichlorophenyl)methanimine is sourced from PubChem (CID 4176024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).