2-(5-chloro-2-methoxyphenyl)sulfonyl-2,9-diazaspiro[4.5]decane;hydrochloride

C15H22Cl2N2O3S — CID 154887610

IUPAC2-(5-chloro-2-methoxyphenyl)sulfonyl-2,9-diazaspiro[4.5]decane;hydrochloride
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCC2(CCCNC2)C1.Cl
InChIInChI=1S/C15H21ClN2O3S.ClH/c1-21-13-4-3-12(16)9-14(13)22(19,20)18-8-6-15(11-18)5-2-7-17-10-15;/h3-4,9,17H,2,5-8,10-11H2,1H3;1H
InChIKeyXDZPMINPIMRBGD-UHFFFAOYSA-N
MW381.33 g/mol
LogP2.53
Rot. Bonds3

About 2-(5-chloro-2-methoxyphenyl)sulfonyl-2,9-diazaspiro[4.5]decane;hydrochloride

2-(5-chloro-2-methoxyphenyl)sulfonyl-2,9-diazaspiro[4.5]decane;hydrochloride (PubChem CID 154887610) has the molecular formula C15H22Cl2N2O3S and a molecular weight of 381.33 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)sulfonyl-2,9-diazaspiro[4.5]decane;hydrochloride.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)sulfonyl-2,9-diazaspiro[4.5]decane;hydrochloride
PubChem CID154887610
Molecular FormulaC15H22Cl2N2O3S
Molecular Weight381.33 g/mol
Exact Mass380.07
IUPAC Name2-(5-chloro-2-methoxyphenyl)sulfonyl-2,9-diazaspiro[4.5]decane;hydrochloride
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCC2(CCCNC2)C1.Cl
InChIInChI=1S/C15H21ClN2O3S.ClH/c1-21-13-4-3-12(16)9-14(13)22(19,20)18-8-6-15(11-18)5-2-7-17-10-15;/h3-4,9,17H,2,5-8,10-11H2,1H3;1H
InChIKeyXDZPMINPIMRBGD-UHFFFAOYSA-N
XLogP2.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine
CID 757936
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CID 27241340
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CID 120894270
(5R)-2-[(4-chlorophenyl)methylsulfonyl]-2,9-diazaspiro[4.5]decane
CID 95229749
2-(2-methoxy-5-nitrophenyl)sulfonyl-2,8-diazaspiro[4.5]decane
CID 120718692
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CID 3291316
2-(2-methylphenyl)sulfonyl-2,8-diazaspiro[5.5]undecane
CID 102850032
2-(2-fluorophenyl)sulfonyl-2,8-diazaspiro[5.5]undecane
CID 102849967
4-(5-chloro-2-methoxyphenyl)sulfonylmorpholine
CID 5201304
8-(2,5-dimethylphenyl)sulfonyl-2-(2-methoxy-5-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane
CID 5171173
3-(5-chloro-2-methoxyphenyl)sulfonyl-1,3-oxazolidine
CID 110740103
(3R,4R)-4-amino-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-ol;hydrochloride
CID 154911275

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)sulfonyl-2,9-diazaspiro[4.5]decane;hydrochloride?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)sulfonyl-2,9-diazaspiro[4.5]decane;hydrochloride (CID 154887610) is 2-(5-chloro-2-methoxyphenyl)sulfonyl-2,9-diazaspiro[4.5]decane;hydrochloride.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)sulfonyl-2,9-diazaspiro[4.5]decane;hydrochloride?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)sulfonyl-2,9-diazaspiro[4.5]decane;hydrochloride is COc1ccc(Cl)cc1S(=O)(=O)N1CCC2(CCCNC2)C1.Cl.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)sulfonyl-2,9-diazaspiro[4.5]decane;hydrochloride?
The InChIKey is XDZPMINPIMRBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3S.ClH/c1-21-13-4-3-12(16)9-14(13)22(19,20)18-8-6-15(11-18)5-2-7-17-10-15;/h3-4,9,17H,2,5-8,10-11H2,1H3;1H.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)sulfonyl-2,9-diazaspiro[4.5]decane;hydrochloride?
2-(5-chloro-2-methoxyphenyl)sulfonyl-2,9-diazaspiro[4.5]decane;hydrochloride has a molecular weight of 381.33 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)sulfonyl-2,9-diazaspiro[4.5]decane;hydrochloride is sourced from PubChem (CID 154887610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).