4-amino-N-(4,6-dimethoxy-1H-triazin-2-yl)benzenesulfonamide

C11H15N5O4S — CID 154105914

IUPAC4-amino-N-(4,6-dimethoxy-1H-triazin-2-yl)benzenesulfonamide
SMILESCOC1=CC(OC)=NN(NS(=O)(=O)c2ccc(N)cc2)N1
InChIInChI=1S/C11H15N5O4S/c1-19-10-7-11(20-2)14-16(13-10)15-21(17,18)9-5-3-8(12)4-6-9/h3-7,13,15H,12H2,1-2H3
InChIKeyCUWVPJFXIGOWPA-UHFFFAOYSA-N
MW313.34 g/mol
LogP-0.27
Rot. Bonds4

About 4-amino-N-(4,6-dimethoxy-1H-triazin-2-yl)benzenesulfonamide

4-amino-N-(4,6-dimethoxy-1H-triazin-2-yl)benzenesulfonamide (PubChem CID 154105914) has the molecular formula C11H15N5O4S and a molecular weight of 313.34 g/mol. Its IUPAC name is 4-amino-N-(4,6-dimethoxy-1H-triazin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(4,6-dimethoxy-1H-triazin-2-yl)benzenesulfonamide
PubChem CID154105914
Molecular FormulaC11H15N5O4S
Molecular Weight313.34 g/mol
Exact Mass313.08
IUPAC Name4-amino-N-(4,6-dimethoxy-1H-triazin-2-yl)benzenesulfonamide
SMILESCOC1=CC(OC)=NN(NS(=O)(=O)c2ccc(N)cc2)N1
InChIInChI=1S/C11H15N5O4S/c1-19-10-7-11(20-2)14-16(13-10)15-21(17,18)9-5-3-8(12)4-6-9/h3-7,13,15H,12H2,1-2H3
InChIKeyCUWVPJFXIGOWPA-UHFFFAOYSA-N
XLogP-0.27
TPSA118.28 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

potassium methyl N-(4-aminophenyl)sulfonylcarbamate
CID 20981828
4-[(6-methoxy-1H-pyridazin-2-yl)sulfonyl]aniline
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4-amino-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide;hydrate
CID 45052589
N-(4-aminophenyl)sulfonyl-4-methoxybenzamide
CID 90673049
N-(5-amino-2-pyridinyl)-4-methoxybenzenesulfonamide
CID 43327268
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CID 170923254
4-amino-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 61126470
4-amino-N-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide
CID 17134
1-(4-aminophenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]urea
CID 166423475
4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide
CID 114094501
4-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]benzenesulfonamide
CID 86790597
[2-[(4-aminophenyl)sulfonylamino]-2-oxoethyl]-trimethylazanium chloride
CID 45266164

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4,6-dimethoxy-1H-triazin-2-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(4,6-dimethoxy-1H-triazin-2-yl)benzenesulfonamide (CID 154105914) is 4-amino-N-(4,6-dimethoxy-1H-triazin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(4,6-dimethoxy-1H-triazin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(4,6-dimethoxy-1H-triazin-2-yl)benzenesulfonamide is COC1=CC(OC)=NN(NS(=O)(=O)c2ccc(N)cc2)N1.
What is the InChIKey of 4-amino-N-(4,6-dimethoxy-1H-triazin-2-yl)benzenesulfonamide?
The InChIKey is CUWVPJFXIGOWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O4S/c1-19-10-7-11(20-2)14-16(13-10)15-21(17,18)9-5-3-8(12)4-6-9/h3-7,13,15H,12H2,1-2H3.
What are the key properties of 4-amino-N-(4,6-dimethoxy-1H-triazin-2-yl)benzenesulfonamide?
4-amino-N-(4,6-dimethoxy-1H-triazin-2-yl)benzenesulfonamide has a molecular weight of 313.34 g/mol, XLogP of -0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4,6-dimethoxy-1H-triazin-2-yl)benzenesulfonamide is sourced from PubChem (CID 154105914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).