4-[[(1,3-dicyclohexyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)methylideneamino]methyl]benzenesulfonamide

C24H32N4O5S — CID 4133373

IUPAC4-[[(1,3-dicyclohexyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)methylideneamino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C/N=C/c2c(O)n(C3CCCCC3)c(=O)n(C3CCCCC3)c2=O)cc1
InChIInChI=1S/C24H32N4O5S/c25-34(32,33)20-13-11-17(12-14-20)15-26-16-21-22(29)27(18-7-3-1-4-8-18)24(31)28(23(21)30)19-9-5-2-6-10-19/h11-14,16,18-19,29H,1-10,15H2,(H2,25,32,33)/b26-16+
InChIKeyZPSNSAWHXDUUPU-WGOQTCKBSA-N
MW488.61 g/mol
LogP2.99
Rot. Bonds6

About 4-[[(1,3-dicyclohexyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)methylideneamino]methyl]benzenesulfonamide

4-[[(1,3-dicyclohexyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)methylideneamino]methyl]benzenesulfonamide (PubChem CID 4133373) has the molecular formula C24H32N4O5S and a molecular weight of 488.61 g/mol. Its IUPAC name is 4-[[(1,3-dicyclohexyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)methylideneamino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[(1,3-dicyclohexyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)methylideneamino]methyl]benzenesulfonamide
PubChem CID4133373
Molecular FormulaC24H32N4O5S
Molecular Weight488.61 g/mol
Exact Mass488.21
IUPAC Name4-[[(1,3-dicyclohexyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)methylideneamino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C/N=C/c2c(O)n(C3CCCCC3)c(=O)n(C3CCCCC3)c2=O)cc1
InChIInChI=1S/C24H32N4O5S/c25-34(32,33)20-13-11-17(12-14-20)15-26-16-21-22(29)27(18-7-3-1-4-8-18)24(31)28(23(21)30)19-9-5-2-6-10-19/h11-14,16,18-19,29H,1-10,15H2,(H2,25,32,33)/b26-16+
InChIKeyZPSNSAWHXDUUPU-WGOQTCKBSA-N
XLogP2.99
TPSA136.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.61
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1,3-dicyclohexyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)methylideneamino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[(1,3-dicyclohexyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)methylideneamino]methyl]benzenesulfonamide (CID 4133373) is 4-[[(1,3-dicyclohexyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)methylideneamino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[(1,3-dicyclohexyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)methylideneamino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[(1,3-dicyclohexyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)methylideneamino]methyl]benzenesulfonamide is NS(=O)(=O)c1ccc(C/N=C/c2c(O)n(C3CCCCC3)c(=O)n(C3CCCCC3)c2=O)cc1.
What is the InChIKey of 4-[[(1,3-dicyclohexyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)methylideneamino]methyl]benzenesulfonamide?
The InChIKey is ZPSNSAWHXDUUPU-WGOQTCKBSA-N. The full InChI is InChI=1S/C24H32N4O5S/c25-34(32,33)20-13-11-17(12-14-20)15-26-16-21-22(29)27(18-7-3-1-4-8-18)24(31)28(23(21)30)19-9-5-2-6-10-19/h11-14,16,18-19,29H,1-10,15H2,(H2,25,32,33)/b26-16+.
What are the key properties of 4-[[(1,3-dicyclohexyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)methylideneamino]methyl]benzenesulfonamide?
4-[[(1,3-dicyclohexyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)methylideneamino]methyl]benzenesulfonamide has a molecular weight of 488.61 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1,3-dicyclohexyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)methylideneamino]methyl]benzenesulfonamide is sourced from PubChem (CID 4133373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).