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

C19H28N2O4S2 — CID 653596

IUPAC4-(2-azaspiro[5.5]undecan-2-ylsulfonyl)-N-cyclopropylbenzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1ccc(S(=O)(=O)N2CCCC3(CCCCC3)C2)cc1
InChIInChI=1S/C19H28N2O4S2/c22-26(23,20-16-5-6-16)17-7-9-18(10-8-17)27(24,25)21-14-4-13-19(15-21)11-2-1-3-12-19/h7-10,16,20H,1-6,11-15H2
InChIKeyMFOIDJVVDQNIJJ-UHFFFAOYSA-N
MW412.58 g/mol
LogP2.86
Rot. Bonds5

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

4-(2-azaspiro[5.5]undecan-2-ylsulfonyl)-N-cyclopropylbenzenesulfonamide (PubChem CID 653596) has the molecular formula C19H28N2O4S2 and a molecular weight of 412.58 g/mol. Its IUPAC name is 4-(2-azaspiro[5.5]undecan-2-ylsulfonyl)-N-cyclopropylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2-azaspiro[5.5]undecan-2-ylsulfonyl)-N-cyclopropylbenzenesulfonamide
PubChem CID653596
Molecular FormulaC19H28N2O4S2
Molecular Weight412.58 g/mol
Exact Mass412.15
IUPAC Name4-(2-azaspiro[5.5]undecan-2-ylsulfonyl)-N-cyclopropylbenzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1ccc(S(=O)(=O)N2CCCC3(CCCCC3)C2)cc1
InChIInChI=1S/C19H28N2O4S2/c22-26(23,20-16-5-6-16)17-7-9-18(10-8-17)27(24,25)21-14-4-13-19(15-21)11-2-1-3-12-19/h7-10,16,20H,1-6,11-15H2
InChIKeyMFOIDJVVDQNIJJ-UHFFFAOYSA-N
XLogP2.86
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.58
LogP ≤ 52.86
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-cyclopropylbenzenesulfonamide?
The IUPAC name of 4-(2-azaspiro[5.5]undecan-2-ylsulfonyl)-N-cyclopropylbenzenesulfonamide (CID 653596) is 4-(2-azaspiro[5.5]undecan-2-ylsulfonyl)-N-cyclopropylbenzenesulfonamide.
What is the SMILES notation for 4-(2-azaspiro[5.5]undecan-2-ylsulfonyl)-N-cyclopropylbenzenesulfonamide?
The canonical SMILES for 4-(2-azaspiro[5.5]undecan-2-ylsulfonyl)-N-cyclopropylbenzenesulfonamide is O=S(=O)(NC1CC1)c1ccc(S(=O)(=O)N2CCCC3(CCCCC3)C2)cc1.
What is the InChIKey of 4-(2-azaspiro[5.5]undecan-2-ylsulfonyl)-N-cyclopropylbenzenesulfonamide?
The InChIKey is MFOIDJVVDQNIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4S2/c22-26(23,20-16-5-6-16)17-7-9-18(10-8-17)27(24,25)21-14-4-13-19(15-21)11-2-1-3-12-19/h7-10,16,20H,1-6,11-15H2.
What are the key properties of 4-(2-azaspiro[5.5]undecan-2-ylsulfonyl)-N-cyclopropylbenzenesulfonamide?
4-(2-azaspiro[5.5]undecan-2-ylsulfonyl)-N-cyclopropylbenzenesulfonamide has a molecular weight of 412.58 g/mol, XLogP of 2.86, 5 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-cyclopropylbenzenesulfonamide is sourced from PubChem (CID 653596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).