3-[(1,3-diethyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)diazenyl]-N,N-diethylbenzenesulfonamide

C18H25N5O5S — CID 135672500

IUPAC3-[(1,3-diethyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)diazenyl]-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cccc(/N=N/c2c(O)n(CC)c(=O)n(CC)c2=O)c1
InChIInChI=1S/C18H25N5O5S/c1-5-21(6-2)29(27,28)14-11-9-10-13(12-14)19-20-15-16(24)22(7-3)18(26)23(8-4)17(15)25/h9-12,24H,5-8H2,1-4H3/b20-19+
InChIKeyDHTHKCVYLFQXBV-FMQUCBEESA-N
MW423.50 g/mol
LogP2.20
Rot. Bonds8

About 3-[(1,3-diethyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)diazenyl]-N,N-diethylbenzenesulfonamide

3-[(1,3-diethyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)diazenyl]-N,N-diethylbenzenesulfonamide (PubChem CID 135672500) has the molecular formula C18H25N5O5S and a molecular weight of 423.50 g/mol. Its IUPAC name is 3-[(1,3-diethyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)diazenyl]-N,N-diethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(1,3-diethyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)diazenyl]-N,N-diethylbenzenesulfonamide
PubChem CID135672500
Molecular FormulaC18H25N5O5S
Molecular Weight423.50 g/mol
Exact Mass423.16
IUPAC Name3-[(1,3-diethyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)diazenyl]-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cccc(/N=N/c2c(O)n(CC)c(=O)n(CC)c2=O)c1
InChIInChI=1S/C18H25N5O5S/c1-5-21(6-2)29(27,28)14-11-9-10-13(12-14)19-20-15-16(24)22(7-3)18(26)23(8-4)17(15)25/h9-12,24H,5-8H2,1-4H3/b20-19+
InChIKeyDHTHKCVYLFQXBV-FMQUCBEESA-N
XLogP2.20
TPSA126.33 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.50
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-3-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)diazenyl]benzenesulfonamide
CID 135453648
3-[[2-(3,4-dimethylphenyl)-3-hydroxy-1-oxoisoquinolin-4-yl]methylideneamino]-N,N-diethylbenzenesulfonamide
CID 4610801
N-ethyl-N-[2-[ethyl-(3-hydroxyphenyl)sulfonylamino]ethyl]-3-hydroxybenzenesulfonamide
CID 46232296
1-ethyl-3-[(3-nitrophenyl)diazenyl]indol-2-ol
CID 3899807
N,N-diethyl-3-[3-hydroxy-4-(naphthalen-1-yliminomethyl)-1-oxoisoquinolin-2-yl]benzenesulfonamide
CID 3981443
4-[(1-butyl-2-hydroxyindol-3-yl)diazenyl]-N,N-diethyl-3-nitrobenzenesulfonamide
CID 3252841
N,N-diethyl-3-(1-hydroxyethyl)benzenesulfonamide
CID 43507253
3-(diethylsulfamoyl)benzoyl chloride
CID 7730328
N-butyl-3-cyano-N-ethylbenzenesulfonamide
CID 24700685
N,N-diethyl-3-(2-phenylimino-3-propyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 4701302
cyanomethyl 3-(diethylsulfamoyl)benzoate
CID 2505913
N-[3-(dimethylamino)propyl]-N-ethyl-3-hydroxybenzenesulfonamide
CID 102995327

Frequently Asked Questions

What is the IUPAC name of 3-[(1,3-diethyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)diazenyl]-N,N-diethylbenzenesulfonamide?
The IUPAC name of 3-[(1,3-diethyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)diazenyl]-N,N-diethylbenzenesulfonamide (CID 135672500) is 3-[(1,3-diethyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)diazenyl]-N,N-diethylbenzenesulfonamide.
What is the SMILES notation for 3-[(1,3-diethyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)diazenyl]-N,N-diethylbenzenesulfonamide?
The canonical SMILES for 3-[(1,3-diethyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)diazenyl]-N,N-diethylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1cccc(/N=N/c2c(O)n(CC)c(=O)n(CC)c2=O)c1.
What is the InChIKey of 3-[(1,3-diethyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)diazenyl]-N,N-diethylbenzenesulfonamide?
The InChIKey is DHTHKCVYLFQXBV-FMQUCBEESA-N. The full InChI is InChI=1S/C18H25N5O5S/c1-5-21(6-2)29(27,28)14-11-9-10-13(12-14)19-20-15-16(24)22(7-3)18(26)23(8-4)17(15)25/h9-12,24H,5-8H2,1-4H3/b20-19+.
What are the key properties of 3-[(1,3-diethyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)diazenyl]-N,N-diethylbenzenesulfonamide?
3-[(1,3-diethyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)diazenyl]-N,N-diethylbenzenesulfonamide has a molecular weight of 423.50 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,3-diethyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)diazenyl]-N,N-diethylbenzenesulfonamide is sourced from PubChem (CID 135672500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).