N-(2,6-dimethylpyrimidin-4-yl)-4-(morpholin-4-yldiazenyl)benzenesulfonamide

C16H20N6O3S — CID 25047791

IUPACN-(2,6-dimethylpyrimidin-4-yl)-4-(morpholin-4-yldiazenyl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(/N=N/N3CCOCC3)cc2)nc(C)n1
InChIInChI=1S/C16H20N6O3S/c1-12-11-16(18-13(2)17-12)20-26(23,24)15-5-3-14(4-6-15)19-21-22-7-9-25-10-8-22/h3-6,11H,7-10H2,1-2H3,(H,17,18,20)/b21-19+
InChIKeyXHVMQTKKPCUCIU-XUTLUUPISA-N
MW376.44 g/mol
LogP2.23
Rot. Bonds5

About N-(2,6-dimethylpyrimidin-4-yl)-4-(morpholin-4-yldiazenyl)benzenesulfonamide

N-(2,6-dimethylpyrimidin-4-yl)-4-(morpholin-4-yldiazenyl)benzenesulfonamide (PubChem CID 25047791) has the molecular formula C16H20N6O3S and a molecular weight of 376.44 g/mol. Its IUPAC name is N-(2,6-dimethylpyrimidin-4-yl)-4-(morpholin-4-yldiazenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,6-dimethylpyrimidin-4-yl)-4-(morpholin-4-yldiazenyl)benzenesulfonamide
PubChem CID25047791
Molecular FormulaC16H20N6O3S
Molecular Weight376.44 g/mol
Exact Mass376.13
IUPAC NameN-(2,6-dimethylpyrimidin-4-yl)-4-(morpholin-4-yldiazenyl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(/N=N/N3CCOCC3)cc2)nc(C)n1
InChIInChI=1S/C16H20N6O3S/c1-12-11-16(18-13(2)17-12)20-26(23,24)15-5-3-14(4-6-15)19-21-22-7-9-25-10-8-22/h3-6,11H,7-10H2,1-2H3,(H,17,18,20)/b21-19+
InChIKeyXHVMQTKKPCUCIU-XUTLUUPISA-N
XLogP2.23
TPSA109.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Benzenesulfonamide, 4-amino-N-(2,6-dimethyl-4-pyrimidinyl)-, sodium salt (1:1)
CID 66643389
potassium 4-(morpholin-4-yldiazenyl)benzenesulfonic acid
CID 126467905
2-chloro-N'-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]ethanimidamide
CID 169368096
N-[4-(morpholin-4-yldiazenyl)phenyl]sulfonylethanimidate
CID 1235130
ethane;(4-methylphenyl)-[4-(morpholin-4-yldiazenyl)phenyl]diazene
CID 157260661
potassium [4-(azepan-1-yldiazenyl)phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide
CID 23665360
methyl N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]carbamate
CID 4586210
1-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-phenylurea
CID 4563892
2-[2-[2-[4-[[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]diazenyl]-N-methylanilino]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 102373199
3,5-dichloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-hydroxybenzenesulfonamide
CID 74228383
N-(2,6-dimethylpyrimidin-4-yl)-4-[(4,7-dioxo-1,3-dihydroisoindol-2-yl)methylamino]benzenesulfonamide
CID 11797333
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]pyridine-4-carboxamide
CID 2059815

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylpyrimidin-4-yl)-4-(morpholin-4-yldiazenyl)benzenesulfonamide?
The IUPAC name of N-(2,6-dimethylpyrimidin-4-yl)-4-(morpholin-4-yldiazenyl)benzenesulfonamide (CID 25047791) is N-(2,6-dimethylpyrimidin-4-yl)-4-(morpholin-4-yldiazenyl)benzenesulfonamide.
What is the SMILES notation for N-(2,6-dimethylpyrimidin-4-yl)-4-(morpholin-4-yldiazenyl)benzenesulfonamide?
The canonical SMILES for N-(2,6-dimethylpyrimidin-4-yl)-4-(morpholin-4-yldiazenyl)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(/N=N/N3CCOCC3)cc2)nc(C)n1.
What is the InChIKey of N-(2,6-dimethylpyrimidin-4-yl)-4-(morpholin-4-yldiazenyl)benzenesulfonamide?
The InChIKey is XHVMQTKKPCUCIU-XUTLUUPISA-N. The full InChI is InChI=1S/C16H20N6O3S/c1-12-11-16(18-13(2)17-12)20-26(23,24)15-5-3-14(4-6-15)19-21-22-7-9-25-10-8-22/h3-6,11H,7-10H2,1-2H3,(H,17,18,20)/b21-19+.
What are the key properties of N-(2,6-dimethylpyrimidin-4-yl)-4-(morpholin-4-yldiazenyl)benzenesulfonamide?
N-(2,6-dimethylpyrimidin-4-yl)-4-(morpholin-4-yldiazenyl)benzenesulfonamide has a molecular weight of 376.44 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylpyrimidin-4-yl)-4-(morpholin-4-yldiazenyl)benzenesulfonamide is sourced from PubChem (CID 25047791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).