4-[[4-(4-aminophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]sulfonyl]aniline

C19H24N4O5S2 — CID 59565071

IUPAC4-[[4-(4-aminophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]sulfonyl]aniline
SMILESNc1ccc(S(=O)(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C19H24N4O5S2/c20-15-1-5-17(6-2-15)29(24,25)22-11-9-19(10-12-22)23(13-14-28-19)30(26,27)18-7-3-16(21)4-8-18/h1-8H,9-14,20-21H2
InChIKeyFZKAQFNFXNTYPW-UHFFFAOYSA-N
MW452.56 g/mol
LogP1.05
Rot. Bonds4

About 4-[[4-(4-aminophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]sulfonyl]aniline

4-[[4-(4-aminophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]sulfonyl]aniline (PubChem CID 59565071) has the molecular formula C19H24N4O5S2 and a molecular weight of 452.56 g/mol. Its IUPAC name is 4-[[4-(4-aminophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]sulfonyl]aniline.

Molecular Properties

Compound Name4-[[4-(4-aminophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]sulfonyl]aniline
PubChem CID59565071
Molecular FormulaC19H24N4O5S2
Molecular Weight452.56 g/mol
Exact Mass452.12
IUPAC Name4-[[4-(4-aminophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]sulfonyl]aniline
SMILESNc1ccc(S(=O)(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C19H24N4O5S2/c20-15-1-5-17(6-2-15)29(24,25)22-11-9-19(10-12-22)23(13-14-28-19)30(26,27)18-7-3-16(21)4-8-18/h1-8H,9-14,20-21H2
InChIKeyFZKAQFNFXNTYPW-UHFFFAOYSA-N
XLogP1.05
TPSA136.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-aminophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]sulfonyl]aniline?
The IUPAC name of 4-[[4-(4-aminophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]sulfonyl]aniline (CID 59565071) is 4-[[4-(4-aminophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]sulfonyl]aniline.
What is the SMILES notation for 4-[[4-(4-aminophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]sulfonyl]aniline?
The canonical SMILES for 4-[[4-(4-aminophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]sulfonyl]aniline is Nc1ccc(S(=O)(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccc(N)cc2)cc1.
What is the InChIKey of 4-[[4-(4-aminophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]sulfonyl]aniline?
The InChIKey is FZKAQFNFXNTYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O5S2/c20-15-1-5-17(6-2-15)29(24,25)22-11-9-19(10-12-22)23(13-14-28-19)30(26,27)18-7-3-16(21)4-8-18/h1-8H,9-14,20-21H2.
What are the key properties of 4-[[4-(4-aminophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]sulfonyl]aniline?
4-[[4-(4-aminophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]sulfonyl]aniline has a molecular weight of 452.56 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-aminophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]sulfonyl]aniline is sourced from PubChem (CID 59565071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).