7-(benzenesulfonyl)-2-benzhydryl-2,7-diazaspiro[3.5]nonane

C26H28N2O2S — CID 3232889

IUPAC7-(benzenesulfonyl)-2-benzhydryl-2,7-diazaspiro[3.5]nonane
SMILESO=S(=O)(c1ccccc1)N1CCC2(CC1)CN(C(c1ccccc1)c1ccccc1)C2
InChIInChI=1S/C26H28N2O2S/c29-31(30,24-14-8-3-9-15-24)28-18-16-26(17-19-28)20-27(21-26)25(22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-15,25H,16-21H2
InChIKeyXDMRVEIBFNTEJA-UHFFFAOYSA-N
MW432.59 g/mol
LogP4.56
Rot. Bonds5

About 7-(benzenesulfonyl)-2-benzhydryl-2,7-diazaspiro[3.5]nonane

7-(benzenesulfonyl)-2-benzhydryl-2,7-diazaspiro[3.5]nonane (PubChem CID 3232889) has the molecular formula C26H28N2O2S and a molecular weight of 432.59 g/mol. Its IUPAC name is 7-(benzenesulfonyl)-2-benzhydryl-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name7-(benzenesulfonyl)-2-benzhydryl-2,7-diazaspiro[3.5]nonane
PubChem CID3232889
Molecular FormulaC26H28N2O2S
Molecular Weight432.59 g/mol
Exact Mass432.19
IUPAC Name7-(benzenesulfonyl)-2-benzhydryl-2,7-diazaspiro[3.5]nonane
SMILESO=S(=O)(c1ccccc1)N1CCC2(CC1)CN(C(c1ccccc1)c1ccccc1)C2
InChIInChI=1S/C26H28N2O2S/c29-31(30,24-14-8-3-9-15-24)28-18-16-26(17-19-28)20-27(21-26)25(22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-15,25H,16-21H2
InChIKeyXDMRVEIBFNTEJA-UHFFFAOYSA-N
XLogP4.56
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Benzenesulfonyl)-4-benzylpiperazine
CID 711024
1-(1-Benzyl-4-piperidinyl)-4-(phenylsulfonyl)piperazine
CID 1131737
N-benzyl-4-[3-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]benzenesulfonamide
CID 44523667
N-methyl-N-[2-phenyl-4-(4-phenyl-1-piperidyl)butyl]benzenesulfonamide
CID 478308
N-benzyl-N-methyl-4-(piperidin-1-ylmethyl)benzenesulfonamide
CID 51031036
N-benzyl-4-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 71720085
1-(Benzenesulfonyl)-4-methyl-2-phenylpiperazine
CID 16317268
9-(Benzenesulfonyl)-2-benzyl-2,9-diazaspiro[5.5]undecane
CID 3232729
7-(Benzenesulfonyl)-2-benzyl-2,7-diazaspiro[3.5]nonane
CID 3233414
3-(Benzenesulfonyl)-9-benzhydryl-3,9-diazaspiro[5.5]undecane
CID 3233544
(5S)-7-(benzenesulfonyl)-2-benzhydryl-2,7-diazaspiro[4.5]decane
CID 3233970
9-(Benzenesulfonyl)-2-benzhydryl-2,9-diazaspiro[5.5]undecane
CID 3233974

Frequently Asked Questions

What is the IUPAC name of 7-(benzenesulfonyl)-2-benzhydryl-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 7-(benzenesulfonyl)-2-benzhydryl-2,7-diazaspiro[3.5]nonane (CID 3232889) is 7-(benzenesulfonyl)-2-benzhydryl-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 7-(benzenesulfonyl)-2-benzhydryl-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 7-(benzenesulfonyl)-2-benzhydryl-2,7-diazaspiro[3.5]nonane is O=S(=O)(c1ccccc1)N1CCC2(CC1)CN(C(c1ccccc1)c1ccccc1)C2.
What is the InChIKey of 7-(benzenesulfonyl)-2-benzhydryl-2,7-diazaspiro[3.5]nonane?
The InChIKey is XDMRVEIBFNTEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2S/c29-31(30,24-14-8-3-9-15-24)28-18-16-26(17-19-28)20-27(21-26)25(22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-15,25H,16-21H2.
What are the key properties of 7-(benzenesulfonyl)-2-benzhydryl-2,7-diazaspiro[3.5]nonane?
7-(benzenesulfonyl)-2-benzhydryl-2,7-diazaspiro[3.5]nonane has a molecular weight of 432.59 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzenesulfonyl)-2-benzhydryl-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 3232889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).