4-(2-azaspiro[5.5]undecan-2-ylsulfonyl)-N-butan-2-ylbenzenesulfonamide

C20H32N2O4S2 — CID 3185256

IUPAC4-(2-azaspiro[5.5]undecan-2-ylsulfonyl)-N-butan-2-ylbenzenesulfonamide
SMILESCCC(C)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC3(CCCCC3)C2)cc1
InChIInChI=1S/C20H32N2O4S2/c1-3-17(2)21-27(23,24)18-8-10-19(11-9-18)28(25,26)22-15-7-14-20(16-22)12-5-4-6-13-20/h8-11,17,21H,3-7,12-16H2,1-2H3
InChIKeyCTTJGUVBPGOYCP-UHFFFAOYSA-N
MW428.62 g/mol
LogP3.50
Rot. Bonds6

About 4-(2-azaspiro[5.5]undecan-2-ylsulfonyl)-N-butan-2-ylbenzenesulfonamide

4-(2-azaspiro[5.5]undecan-2-ylsulfonyl)-N-butan-2-ylbenzenesulfonamide (PubChem CID 3185256) has the molecular formula C20H32N2O4S2 and a molecular weight of 428.62 g/mol. Its IUPAC name is 4-(2-azaspiro[5.5]undecan-2-ylsulfonyl)-N-butan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2-azaspiro[5.5]undecan-2-ylsulfonyl)-N-butan-2-ylbenzenesulfonamide
PubChem CID3185256
Molecular FormulaC20H32N2O4S2
Molecular Weight428.62 g/mol
Exact Mass428.18
IUPAC Name4-(2-azaspiro[5.5]undecan-2-ylsulfonyl)-N-butan-2-ylbenzenesulfonamide
SMILESCCC(C)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC3(CCCCC3)C2)cc1
InChIInChI=1S/C20H32N2O4S2/c1-3-17(2)21-27(23,24)18-8-10-19(11-9-18)28(25,26)22-15-7-14-20(16-22)12-5-4-6-13-20/h8-11,17,21H,3-7,12-16H2,1-2H3
InChIKeyCTTJGUVBPGOYCP-UHFFFAOYSA-N
XLogP3.50
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.62
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-azaspiro[5.5]undecan-2-ylsulfonyl)-N-butan-2-ylbenzenesulfonamide?
The IUPAC name of 4-(2-azaspiro[5.5]undecan-2-ylsulfonyl)-N-butan-2-ylbenzenesulfonamide (CID 3185256) is 4-(2-azaspiro[5.5]undecan-2-ylsulfonyl)-N-butan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-(2-azaspiro[5.5]undecan-2-ylsulfonyl)-N-butan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-(2-azaspiro[5.5]undecan-2-ylsulfonyl)-N-butan-2-ylbenzenesulfonamide is CCC(C)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC3(CCCCC3)C2)cc1.
What is the InChIKey of 4-(2-azaspiro[5.5]undecan-2-ylsulfonyl)-N-butan-2-ylbenzenesulfonamide?
The InChIKey is CTTJGUVBPGOYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O4S2/c1-3-17(2)21-27(23,24)18-8-10-19(11-9-18)28(25,26)22-15-7-14-20(16-22)12-5-4-6-13-20/h8-11,17,21H,3-7,12-16H2,1-2H3.
What are the key properties of 4-(2-azaspiro[5.5]undecan-2-ylsulfonyl)-N-butan-2-ylbenzenesulfonamide?
4-(2-azaspiro[5.5]undecan-2-ylsulfonyl)-N-butan-2-ylbenzenesulfonamide has a molecular weight of 428.62 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-azaspiro[5.5]undecan-2-ylsulfonyl)-N-butan-2-ylbenzenesulfonamide is sourced from PubChem (CID 3185256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).