9-(2,4-dichloro-5-methylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane

C15H19Cl2NO4S — CID 3774926

IUPAC9-(2,4-dichloro-5-methylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
SMILESCc1cc(S(=O)(=O)N2CCC3(CC2)OCCCO3)c(Cl)cc1Cl
InChIInChI=1S/C15H19Cl2NO4S/c1-11-9-14(13(17)10-12(11)16)23(19,20)18-5-3-15(4-6-18)21-7-2-8-22-15/h9-10H,2-8H2,1H3
InChIKeyHJRVWRXQXVTVTF-UHFFFAOYSA-N
MW380.29 g/mol
LogP3.22
Rot. Bonds2

About 9-(2,4-dichloro-5-methylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane

9-(2,4-dichloro-5-methylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane (PubChem CID 3774926) has the molecular formula C15H19Cl2NO4S and a molecular weight of 380.29 g/mol. Its IUPAC name is 9-(2,4-dichloro-5-methylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(2,4-dichloro-5-methylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
PubChem CID3774926
Molecular FormulaC15H19Cl2NO4S
Molecular Weight380.29 g/mol
Exact Mass379.04
IUPAC Name9-(2,4-dichloro-5-methylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
SMILESCc1cc(S(=O)(=O)N2CCC3(CC2)OCCCO3)c(Cl)cc1Cl
InChIInChI=1S/C15H19Cl2NO4S/c1-11-9-14(13(17)10-12(11)16)23(19,20)18-5-3-15(4-6-18)21-7-2-8-22-15/h9-10H,2-8H2,1H3
InChIKeyHJRVWRXQXVTVTF-UHFFFAOYSA-N
XLogP3.22
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.29
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,4-dichloro-5-methylphenyl)sulfonylmorpholine
CID 775833
9-(2-chlorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 3766966
9-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 3516792
9-(2-methoxy-5-methylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 90510529
9-(3-chloro-4-fluorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 23909983
N-(5-chloro-4-methyl-2-piperidin-1-ylsulfonylphenyl)acetamide
CID 50876397
(3S,5S)-1-(2,4-dichloro-5-methylphenyl)sulfonyl-3,5-dimethylpiperidine
CID 7749543
(3S)-1'-(2,4-dichloro-5-methylphenyl)sulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one
CID 99903426
8-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 20935529
9-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 3858399
9-(3-methoxyphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 90510515
8-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 46365792

Frequently Asked Questions

What is the IUPAC name of 9-(2,4-dichloro-5-methylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane?
The IUPAC name of 9-(2,4-dichloro-5-methylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane (CID 3774926) is 9-(2,4-dichloro-5-methylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 9-(2,4-dichloro-5-methylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 9-(2,4-dichloro-5-methylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane is Cc1cc(S(=O)(=O)N2CCC3(CC2)OCCCO3)c(Cl)cc1Cl.
What is the InChIKey of 9-(2,4-dichloro-5-methylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane?
The InChIKey is HJRVWRXQXVTVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO4S/c1-11-9-14(13(17)10-12(11)16)23(19,20)18-5-3-15(4-6-18)21-7-2-8-22-15/h9-10H,2-8H2,1H3.
What are the key properties of 9-(2,4-dichloro-5-methylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane?
9-(2,4-dichloro-5-methylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane has a molecular weight of 380.29 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,4-dichloro-5-methylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 3774926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).