2-amino-N-methyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzenesulfonamide

C10H13N5O3S — CID 106596553

IUPAC2-amino-N-methyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Oc2ncn(C)n2)cc1N
InChIInChI=1S/C10H13N5O3S/c1-12-19(16,17)9-4-3-7(5-8(9)11)18-10-13-6-15(2)14-10/h3-6,12H,11H2,1-2H3
InChIKeyRMPUGGLODIBUFK-UHFFFAOYSA-N
MW283.31 g/mol
LogP0.10
Rot. Bonds4

About 2-amino-N-methyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzenesulfonamide

2-amino-N-methyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzenesulfonamide (PubChem CID 106596553) has the molecular formula C10H13N5O3S and a molecular weight of 283.31 g/mol. Its IUPAC name is 2-amino-N-methyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-methyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzenesulfonamide
PubChem CID106596553
Molecular FormulaC10H13N5O3S
Molecular Weight283.31 g/mol
Exact Mass283.07
IUPAC Name2-amino-N-methyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Oc2ncn(C)n2)cc1N
InChIInChI=1S/C10H13N5O3S/c1-12-19(16,17)9-4-3-7(5-8(9)11)18-10-13-6-15(2)14-10/h3-6,12H,11H2,1-2H3
InChIKeyRMPUGGLODIBUFK-UHFFFAOYSA-N
XLogP0.10
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-(3,5-dimethylphenoxy)-N-methylbenzenesulfonamide
CID 80641737
2-amino-4-(4-chlorophenoxy)-N-methylbenzenesulfonamide
CID 80646384
2-amino-N-methyl-4-(1-propan-2-ylpyrazol-4-yl)oxybenzenesulfonamide
CID 116800594
2-amino-N-methyl-4-(4-methylpentan-2-yloxy)benzenesulfonamide
CID 80646385
2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methoxybenzenesulfonamide
CID 102803440
2-amino-4-[2-[cyclopropyl(methyl)amino]ethoxy]-N-methylbenzenesulfonamide
CID 102739860
5-[(1-methyl-1,2,4-triazol-3-yl)oxy]-2-(trifluoromethyl)benzoic acid
CID 106598489
2-amino-4-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-methylbenzenesulfonamide
CID 107462202
2-amino-N-methyl-4-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 80645856
2-amino-N-methyl-4-[(1-methylimidazol-2-yl)methylamino]benzenesulfonamide
CID 80646018
2-amino-4-(azepan-1-yl)-N-methylbenzenesulfonamide
CID 80646144
2-amino-N-methyl-4-[2-(1-methylimidazol-2-yl)ethylamino]benzenesulfonamide
CID 80642729

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzenesulfonamide?
The IUPAC name of 2-amino-N-methyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzenesulfonamide (CID 106596553) is 2-amino-N-methyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzenesulfonamide.
What is the SMILES notation for 2-amino-N-methyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzenesulfonamide?
The canonical SMILES for 2-amino-N-methyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzenesulfonamide is CNS(=O)(=O)c1ccc(Oc2ncn(C)n2)cc1N.
What is the InChIKey of 2-amino-N-methyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzenesulfonamide?
The InChIKey is RMPUGGLODIBUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O3S/c1-12-19(16,17)9-4-3-7(5-8(9)11)18-10-13-6-15(2)14-10/h3-6,12H,11H2,1-2H3.
What are the key properties of 2-amino-N-methyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzenesulfonamide?
2-amino-N-methyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzenesulfonamide has a molecular weight of 283.31 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzenesulfonamide is sourced from PubChem (CID 106596553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).