9-(3,4-dichlorophenyl)sulfonyl-1,4,9-triazaspiro[5.5]undecane

C14H19Cl2N3O2S — CID 152529683

IUPAC9-(3,4-dichlorophenyl)sulfonyl-1,4,9-triazaspiro[5.5]undecane
SMILESO=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCC2(CC1)CNCCN2
InChIInChI=1S/C14H19Cl2N3O2S/c15-12-2-1-11(9-13(12)16)22(20,21)19-7-3-14(4-8-19)10-17-5-6-18-14/h1-2,9,17-18H,3-8,10H2
InChIKeyYJGSEUKYWWEAHP-UHFFFAOYSA-N
MW364.30 g/mol
LogP1.71
Rot. Bonds2

About 9-(3,4-dichlorophenyl)sulfonyl-1,4,9-triazaspiro[5.5]undecane

9-(3,4-dichlorophenyl)sulfonyl-1,4,9-triazaspiro[5.5]undecane (PubChem CID 152529683) has the molecular formula C14H19Cl2N3O2S and a molecular weight of 364.30 g/mol. Its IUPAC name is 9-(3,4-dichlorophenyl)sulfonyl-1,4,9-triazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(3,4-dichlorophenyl)sulfonyl-1,4,9-triazaspiro[5.5]undecane
PubChem CID152529683
Molecular FormulaC14H19Cl2N3O2S
Molecular Weight364.30 g/mol
Exact Mass363.06
IUPAC Name9-(3,4-dichlorophenyl)sulfonyl-1,4,9-triazaspiro[5.5]undecane
SMILESO=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCC2(CC1)CNCCN2
InChIInChI=1S/C14H19Cl2N3O2S/c15-12-2-1-11(9-13(12)16)22(20,21)19-7-3-14(4-8-19)10-17-5-6-18-14/h1-2,9,17-18H,3-8,10H2
InChIKeyYJGSEUKYWWEAHP-UHFFFAOYSA-N
XLogP1.71
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.30
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-1-(3,4-dichlorophenyl)sulfonylpiperidine
CID 80672110
[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(1-methylcyclopentyl)methanone
CID 55376414
8-(3,4-dichlorophenyl)sulfonyl-4-[[(2R)-oxolan-2-yl]methyl]-1,4,8-triazaspiro[4.5]decan-3-one
CID 93145425
1-(3,4-dichlorophenyl)sulfonyl-4-(piperidin-4-ylmethyl)piperazine;hydrochloride
CID 119929370
5-(8-azaspiro[4.5]decan-8-ylsulfonyl)-2-chloroaniline
CID 63156801
8-(3,5-dichlorophenyl)sulfonyl-2,8-diazaspiro[4.5]decane
CID 67480503
1-(3,4-dichlorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine
CID 120714288
1-(3,4-dichlorophenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine
CID 55352199
1-(4-chlorophenyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine
CID 3708259
1-(1-adamantyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine
CID 4264866
[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-phenylmethanone
CID 23853559
1-(3,4-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 119980298

Frequently Asked Questions

What is the IUPAC name of 9-(3,4-dichlorophenyl)sulfonyl-1,4,9-triazaspiro[5.5]undecane?
The IUPAC name of 9-(3,4-dichlorophenyl)sulfonyl-1,4,9-triazaspiro[5.5]undecane (CID 152529683) is 9-(3,4-dichlorophenyl)sulfonyl-1,4,9-triazaspiro[5.5]undecane.
What is the SMILES notation for 9-(3,4-dichlorophenyl)sulfonyl-1,4,9-triazaspiro[5.5]undecane?
The canonical SMILES for 9-(3,4-dichlorophenyl)sulfonyl-1,4,9-triazaspiro[5.5]undecane is O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCC2(CC1)CNCCN2.
What is the InChIKey of 9-(3,4-dichlorophenyl)sulfonyl-1,4,9-triazaspiro[5.5]undecane?
The InChIKey is YJGSEUKYWWEAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O2S/c15-12-2-1-11(9-13(12)16)22(20,21)19-7-3-14(4-8-19)10-17-5-6-18-14/h1-2,9,17-18H,3-8,10H2.
What are the key properties of 9-(3,4-dichlorophenyl)sulfonyl-1,4,9-triazaspiro[5.5]undecane?
9-(3,4-dichlorophenyl)sulfonyl-1,4,9-triazaspiro[5.5]undecane has a molecular weight of 364.30 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,4-dichlorophenyl)sulfonyl-1,4,9-triazaspiro[5.5]undecane is sourced from PubChem (CID 152529683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).