1-(3-chlorophenyl)sulfonyl-3-cyclohexylsulfonylazetidine

C15H20ClNO4S2 — CID 90594008

IUPAC1-(3-chlorophenyl)sulfonyl-3-cyclohexylsulfonylazetidine
SMILESO=S(=O)(C1CCCCC1)C1CN(S(=O)(=O)c2cccc(Cl)c2)C1
InChIInChI=1S/C15H20ClNO4S2/c16-12-5-4-8-14(9-12)23(20,21)17-10-15(11-17)22(18,19)13-6-2-1-3-7-13/h4-5,8-9,13,15H,1-3,6-7,10-11H2
InChIKeyWRCPUFXOWGWRKG-UHFFFAOYSA-N
MW377.92 g/mol
LogP2.46
Rot. Bonds4

About 1-(3-chlorophenyl)sulfonyl-3-cyclohexylsulfonylazetidine

1-(3-chlorophenyl)sulfonyl-3-cyclohexylsulfonylazetidine (PubChem CID 90594008) has the molecular formula C15H20ClNO4S2 and a molecular weight of 377.92 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfonyl-3-cyclohexylsulfonylazetidine.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfonyl-3-cyclohexylsulfonylazetidine
PubChem CID90594008
Molecular FormulaC15H20ClNO4S2
Molecular Weight377.92 g/mol
Exact Mass377.05
IUPAC Name1-(3-chlorophenyl)sulfonyl-3-cyclohexylsulfonylazetidine
SMILESO=S(=O)(C1CCCCC1)C1CN(S(=O)(=O)c2cccc(Cl)c2)C1
InChIInChI=1S/C15H20ClNO4S2/c16-12-5-4-8-14(9-12)23(20,21)17-10-15(11-17)22(18,19)13-6-2-1-3-7-13/h4-5,8-9,13,15H,1-3,6-7,10-11H2
InChIKeyWRCPUFXOWGWRKG-UHFFFAOYSA-N
XLogP2.46
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.92
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclohexylsulfonyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidine
CID 90594025
1-(3-chlorophenyl)sulfonyl-3,5-dimethylpiperidine
CID 18074509
3-chloro-N-[2-(3-cyclohexylsulfonylazetidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 71809313
(3S,4R)-1-(3-chlorophenyl)sulfonyl-4-cyclopropylpyrrolidin-3-amine
CID 133125721
1-(3-chlorophenyl)sulfonyl-4-cyclopentylpiperazine;hydrochloride
CID 163331803
N-[[1-(3-chlorophenyl)sulfonylazetidin-3-yl]methyl]cyclooctanecarboxamide
CID 173136687
N-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide
CID 68875719
1-(3-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971605
(3S)-1-(3-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993468
1-(3-chlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536748
N-(3-chlorophenyl)-3-cyclohexylsulfonylazetidine-1-carboxamide
CID 71809355
1-(2-bromophenyl)sulfonyl-3-cyclohexylsulfonylazetidine
CID 90594041

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfonyl-3-cyclohexylsulfonylazetidine?
The IUPAC name of 1-(3-chlorophenyl)sulfonyl-3-cyclohexylsulfonylazetidine (CID 90594008) is 1-(3-chlorophenyl)sulfonyl-3-cyclohexylsulfonylazetidine.
What is the SMILES notation for 1-(3-chlorophenyl)sulfonyl-3-cyclohexylsulfonylazetidine?
The canonical SMILES for 1-(3-chlorophenyl)sulfonyl-3-cyclohexylsulfonylazetidine is O=S(=O)(C1CCCCC1)C1CN(S(=O)(=O)c2cccc(Cl)c2)C1.
What is the InChIKey of 1-(3-chlorophenyl)sulfonyl-3-cyclohexylsulfonylazetidine?
The InChIKey is WRCPUFXOWGWRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO4S2/c16-12-5-4-8-14(9-12)23(20,21)17-10-15(11-17)22(18,19)13-6-2-1-3-7-13/h4-5,8-9,13,15H,1-3,6-7,10-11H2.
What are the key properties of 1-(3-chlorophenyl)sulfonyl-3-cyclohexylsulfonylazetidine?
1-(3-chlorophenyl)sulfonyl-3-cyclohexylsulfonylazetidine has a molecular weight of 377.92 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)sulfonyl-3-cyclohexylsulfonylazetidine is sourced from PubChem (CID 90594008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).