8-(3,4-dichlorophenyl)sulfonyl-4-[[(2R)-oxolan-2-yl]methyl]-1,4,8-triazaspiro[4.5]decan-3-one

C18H23Cl2N3O4S — CID 93145425

IUPAC8-(3,4-dichlorophenyl)sulfonyl-4-[[(2R)-oxolan-2-yl]methyl]-1,4,8-triazaspiro[4.5]decan-3-one
SMILESO=C1CNC2(CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)N1C[C@H]1CCCO1
InChIInChI=1S/C18H23Cl2N3O4S/c19-15-4-3-14(10-16(15)20)28(25,26)22-7-5-18(6-8-22)21-11-17(24)23(18)12-13-2-1-9-27-13/h3-4,10,13,21H,1-2,5-9,11-12H2/t13-/m1/s1
InChIKeyWKIFUCXDTAYPDL-CYBMUJFWSA-N
MW448.37 g/mol
LogP2.09
Rot. Bonds4

About 8-(3,4-dichlorophenyl)sulfonyl-4-[[(2R)-oxolan-2-yl]methyl]-1,4,8-triazaspiro[4.5]decan-3-one

8-(3,4-dichlorophenyl)sulfonyl-4-[[(2R)-oxolan-2-yl]methyl]-1,4,8-triazaspiro[4.5]decan-3-one (PubChem CID 93145425) has the molecular formula C18H23Cl2N3O4S and a molecular weight of 448.37 g/mol. Its IUPAC name is 8-(3,4-dichlorophenyl)sulfonyl-4-[[(2R)-oxolan-2-yl]methyl]-1,4,8-triazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(3,4-dichlorophenyl)sulfonyl-4-[[(2R)-oxolan-2-yl]methyl]-1,4,8-triazaspiro[4.5]decan-3-one
PubChem CID93145425
Molecular FormulaC18H23Cl2N3O4S
Molecular Weight448.37 g/mol
Exact Mass447.08
IUPAC Name8-(3,4-dichlorophenyl)sulfonyl-4-[[(2R)-oxolan-2-yl]methyl]-1,4,8-triazaspiro[4.5]decan-3-one
SMILESO=C1CNC2(CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)N1C[C@H]1CCCO1
InChIInChI=1S/C18H23Cl2N3O4S/c19-15-4-3-14(10-16(15)20)28(25,26)22-7-5-18(6-8-22)21-11-17(24)23(18)12-13-2-1-9-27-13/h3-4,10,13,21H,1-2,5-9,11-12H2/t13-/m1/s1
InChIKeyWKIFUCXDTAYPDL-CYBMUJFWSA-N
XLogP2.09
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.37
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-benzyl-8-(3,5-dichloro-4-hydroxyphenyl)sulfonyl-1,4,8-triazaspiro[4.5]decan-3-one;ethane
CID 143985173
9-(3,4-dichlorophenyl)sulfonyl-1,4,9-triazaspiro[5.5]undecane
CID 152529683
2-(bromomethyl)-4-(3,4-dichlorophenyl)sulfonylmorpholine
CID 81212002
3-chloro-1-(3,4-dichlorophenyl)sulfonylpiperidine
CID 63397150
2-[[(2S)-oxolan-2-yl]methyl]-9-(1H-pyrazol-4-ylsulfonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97122972
4-bromo-1-(3,4-dichlorophenyl)sulfonylpiperidine
CID 80672110
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]-5-thiomorpholin-4-ylsulfonylbenzamide
CID 92882534
1-(4-bromophenyl)sulfonyl-4-[[(2R)-oxan-2-yl]methyl]piperazin-4-ium
CID 8744750
1-(3,4-dichlorophenyl)sulfonyl-2-ethylpyrrolidine-2-carboxylic acid
CID 83058888
(2R)-4-(1,3-benzodioxol-5-ylmethyl)-8-(3,4-dichlorophenyl)sulfonyl-2-methyl-1,4,8-triazaspiro[4.5]decan-3-one
CID 93145356
3-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]-6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazine
CID 122337124
4-[1-(3,4-dichlorophenyl)sulfonylpiperidin-4-yl]morpholine
CID 68554209

Frequently Asked Questions

What is the IUPAC name of 8-(3,4-dichlorophenyl)sulfonyl-4-[[(2R)-oxolan-2-yl]methyl]-1,4,8-triazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(3,4-dichlorophenyl)sulfonyl-4-[[(2R)-oxolan-2-yl]methyl]-1,4,8-triazaspiro[4.5]decan-3-one (CID 93145425) is 8-(3,4-dichlorophenyl)sulfonyl-4-[[(2R)-oxolan-2-yl]methyl]-1,4,8-triazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(3,4-dichlorophenyl)sulfonyl-4-[[(2R)-oxolan-2-yl]methyl]-1,4,8-triazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(3,4-dichlorophenyl)sulfonyl-4-[[(2R)-oxolan-2-yl]methyl]-1,4,8-triazaspiro[4.5]decan-3-one is O=C1CNC2(CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)N1C[C@H]1CCCO1.
What is the InChIKey of 8-(3,4-dichlorophenyl)sulfonyl-4-[[(2R)-oxolan-2-yl]methyl]-1,4,8-triazaspiro[4.5]decan-3-one?
The InChIKey is WKIFUCXDTAYPDL-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H23Cl2N3O4S/c19-15-4-3-14(10-16(15)20)28(25,26)22-7-5-18(6-8-22)21-11-17(24)23(18)12-13-2-1-9-27-13/h3-4,10,13,21H,1-2,5-9,11-12H2/t13-/m1/s1.
What are the key properties of 8-(3,4-dichlorophenyl)sulfonyl-4-[[(2R)-oxolan-2-yl]methyl]-1,4,8-triazaspiro[4.5]decan-3-one?
8-(3,4-dichlorophenyl)sulfonyl-4-[[(2R)-oxolan-2-yl]methyl]-1,4,8-triazaspiro[4.5]decan-3-one has a molecular weight of 448.37 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,4-dichlorophenyl)sulfonyl-4-[[(2R)-oxolan-2-yl]methyl]-1,4,8-triazaspiro[4.5]decan-3-one is sourced from PubChem (CID 93145425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).