4-(dimethylaminodiazenyl)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide

C14H18N6O2S — CID 799989

IUPAC4-(dimethylaminodiazenyl)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(/N=N/N(C)C)cc2)n1
InChIInChI=1S/C14H18N6O2S/c1-10-9-11(2)16-14(15-10)18-23(21,22)13-7-5-12(6-8-13)17-19-20(3)4/h5-9H,1-4H3,(H,15,16,18)/b19-17+
InChIKeyUUGCITSGYRJKBG-HTXNQAPBSA-N
MW334.41 g/mol
LogP2.45
Rot. Bonds5

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

4-(dimethylaminodiazenyl)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide (PubChem CID 799989) has the molecular formula C14H18N6O2S and a molecular weight of 334.41 g/mol. Its IUPAC name is 4-(dimethylaminodiazenyl)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(dimethylaminodiazenyl)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
PubChem CID799989
Molecular FormulaC14H18N6O2S
Molecular Weight334.41 g/mol
Exact Mass334.12
IUPAC Name4-(dimethylaminodiazenyl)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(/N=N/N(C)C)cc2)n1
InChIInChI=1S/C14H18N6O2S/c1-10-9-11(2)16-14(15-10)18-23(21,22)13-7-5-12(6-8-13)17-19-20(3)4/h5-9H,1-4H3,(H,15,16,18)/b19-17+
InChIKeyUUGCITSGYRJKBG-HTXNQAPBSA-N
XLogP2.45
TPSA99.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylaminodiazenyl)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide?
The IUPAC name of 4-(dimethylaminodiazenyl)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide (CID 799989) is 4-(dimethylaminodiazenyl)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(dimethylaminodiazenyl)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(dimethylaminodiazenyl)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide is Cc1cc(C)nc(NS(=O)(=O)c2ccc(/N=N/N(C)C)cc2)n1.
What is the InChIKey of 4-(dimethylaminodiazenyl)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide?
The InChIKey is UUGCITSGYRJKBG-HTXNQAPBSA-N. The full InChI is InChI=1S/C14H18N6O2S/c1-10-9-11(2)16-14(15-10)18-23(21,22)13-7-5-12(6-8-13)17-19-20(3)4/h5-9H,1-4H3,(H,15,16,18)/b19-17+.
What are the key properties of 4-(dimethylaminodiazenyl)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide?
4-(dimethylaminodiazenyl)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide has a molecular weight of 334.41 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylaminodiazenyl)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 799989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).