5-amino-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)oxybenzenesulfonamide

C13H18N4O3S — CID 103287840

IUPAC5-amino-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)oxybenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1Oc1c(C)nn(C)c1C
InChIInChI=1S/C13H18N4O3S/c1-8-13(9(2)17(4)16-8)20-11-6-5-10(14)7-12(11)21(18,19)15-3/h5-7,15H,14H2,1-4H3
InChIKeyQAIXBJWJEFDMMW-UHFFFAOYSA-N
MW310.38 g/mol
LogP1.32
Rot. Bonds4

About 5-amino-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)oxybenzenesulfonamide

5-amino-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)oxybenzenesulfonamide (PubChem CID 103287840) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is 5-amino-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)oxybenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)oxybenzenesulfonamide
PubChem CID103287840
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Name5-amino-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)oxybenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1Oc1c(C)nn(C)c1C
InChIInChI=1S/C13H18N4O3S/c1-8-13(9(2)17(4)16-8)20-11-6-5-10(14)7-12(11)21(18,19)15-3/h5-7,15H,14H2,1-4H3
InChIKeyQAIXBJWJEFDMMW-UHFFFAOYSA-N
XLogP1.32
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)oxybenzenesulfonamide?
The IUPAC name of 5-amino-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)oxybenzenesulfonamide (CID 103287840) is 5-amino-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)oxybenzenesulfonamide.
What is the SMILES notation for 5-amino-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)oxybenzenesulfonamide?
The canonical SMILES for 5-amino-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)oxybenzenesulfonamide is CNS(=O)(=O)c1cc(N)ccc1Oc1c(C)nn(C)c1C.
What is the InChIKey of 5-amino-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)oxybenzenesulfonamide?
The InChIKey is QAIXBJWJEFDMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-8-13(9(2)17(4)16-8)20-11-6-5-10(14)7-12(11)21(18,19)15-3/h5-7,15H,14H2,1-4H3.
What are the key properties of 5-amino-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)oxybenzenesulfonamide?
5-amino-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)oxybenzenesulfonamide has a molecular weight of 310.38 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)oxybenzenesulfonamide is sourced from PubChem (CID 103287840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).