2-(3-amino-1,2,4-triazol-1-yl)-N-propan-2-ylbenzenesulfonamide

C11H15N5O2S — CID 61176965

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccccc1-n1cnc(N)n1
InChIInChI=1S/C11H15N5O2S/c1-8(2)15-19(17,18)10-6-4-3-5-9(10)16-7-13-11(12)14-16/h3-8,15H,1-2H3,(H2,12,14)
InChIKeyRGWKCSRKXPDECL-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.54
Rot. Bonds4

About 2-(3-amino-1,2,4-triazol-1-yl)-N-propan-2-ylbenzenesulfonamide

2-(3-amino-1,2,4-triazol-1-yl)-N-propan-2-ylbenzenesulfonamide (PubChem CID 61176965) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-propan-2-ylbenzenesulfonamide
PubChem CID61176965
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccccc1-n1cnc(N)n1
InChIInChI=1S/C11H15N5O2S/c1-8(2)15-19(17,18)10-6-4-3-5-9(10)16-7-13-11(12)14-16/h3-8,15H,1-2H3,(H2,12,14)
InChIKeyRGWKCSRKXPDECL-UHFFFAOYSA-N
XLogP0.54
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-propan-2-ylbenzenesulfonamide (CID 61176965) is 2-(3-amino-1,2,4-triazol-1-yl)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1ccccc1-n1cnc(N)n1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is RGWKCSRKXPDECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-8(2)15-19(17,18)10-6-4-3-5-9(10)16-7-13-11(12)14-16/h3-8,15H,1-2H3,(H2,12,14).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-propan-2-ylbenzenesulfonamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 281.34 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 61176965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).