7-(benzenesulfonyl)-N-phenyl-2,7-diazaspiro[3.5]nonane-2-carboxamide

C20H23N3O3S — CID 3232686

IUPAC7-(benzenesulfonyl)-N-phenyl-2,7-diazaspiro[3.5]nonane-2-carboxamide
SMILESO=C(Nc1ccccc1)N1CC2(CCN(S(=O)(=O)c3ccccc3)CC2)C1
InChIInChI=1S/C20H23N3O3S/c24-19(21-17-7-3-1-4-8-17)22-15-20(16-22)11-13-23(14-12-20)27(25,26)18-9-5-2-6-10-18/h1-10H,11-16H2,(H,21,24)
InChIKeySGODQWIOWBOYKT-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.01
Rot. Bonds3

About 7-(benzenesulfonyl)-N-phenyl-2,7-diazaspiro[3.5]nonane-2-carboxamide

7-(benzenesulfonyl)-N-phenyl-2,7-diazaspiro[3.5]nonane-2-carboxamide (PubChem CID 3232686) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 7-(benzenesulfonyl)-N-phenyl-2,7-diazaspiro[3.5]nonane-2-carboxamide.

Molecular Properties

Compound Name7-(benzenesulfonyl)-N-phenyl-2,7-diazaspiro[3.5]nonane-2-carboxamide
PubChem CID3232686
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name7-(benzenesulfonyl)-N-phenyl-2,7-diazaspiro[3.5]nonane-2-carboxamide
SMILESO=C(Nc1ccccc1)N1CC2(CCN(S(=O)(=O)c3ccccc3)CC2)C1
InChIInChI=1S/C20H23N3O3S/c24-19(21-17-7-3-1-4-8-17)22-15-20(16-22)11-13-23(14-12-20)27(25,26)18-9-5-2-6-10-18/h1-10H,11-16H2,(H,21,24)
InChIKeySGODQWIOWBOYKT-UHFFFAOYSA-N
XLogP3.01
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(benzenesulfonyl)-N-phenyl-2,7-diazaspiro[3.5]nonane-2-carboxamide?
The IUPAC name of 7-(benzenesulfonyl)-N-phenyl-2,7-diazaspiro[3.5]nonane-2-carboxamide (CID 3232686) is 7-(benzenesulfonyl)-N-phenyl-2,7-diazaspiro[3.5]nonane-2-carboxamide.
What is the SMILES notation for 7-(benzenesulfonyl)-N-phenyl-2,7-diazaspiro[3.5]nonane-2-carboxamide?
The canonical SMILES for 7-(benzenesulfonyl)-N-phenyl-2,7-diazaspiro[3.5]nonane-2-carboxamide is O=C(Nc1ccccc1)N1CC2(CCN(S(=O)(=O)c3ccccc3)CC2)C1.
What is the InChIKey of 7-(benzenesulfonyl)-N-phenyl-2,7-diazaspiro[3.5]nonane-2-carboxamide?
The InChIKey is SGODQWIOWBOYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c24-19(21-17-7-3-1-4-8-17)22-15-20(16-22)11-13-23(14-12-20)27(25,26)18-9-5-2-6-10-18/h1-10H,11-16H2,(H,21,24).
What are the key properties of 7-(benzenesulfonyl)-N-phenyl-2,7-diazaspiro[3.5]nonane-2-carboxamide?
7-(benzenesulfonyl)-N-phenyl-2,7-diazaspiro[3.5]nonane-2-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzenesulfonyl)-N-phenyl-2,7-diazaspiro[3.5]nonane-2-carboxamide is sourced from PubChem (CID 3232686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).