N-[2-(1,2,4-triazol-1-yl)phenyl]-1H-pyrazole-5-sulfonamide

C11H10N6O2S — CID 102692481

IUPACN-[2-(1,2,4-triazol-1-yl)phenyl]-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccccc1-n1cncn1)c1ccn[nH]1
InChIInChI=1S/C11H10N6O2S/c18-20(19,11-5-6-13-15-11)16-9-3-1-2-4-10(9)17-8-12-7-14-17/h1-8,16H,(H,13,15)
InChIKeyRLHLYAWGWARUBJ-UHFFFAOYSA-N
MW290.31 g/mol
LogP0.79
Rot. Bonds4

About N-[2-(1,2,4-triazol-1-yl)phenyl]-1H-pyrazole-5-sulfonamide

N-[2-(1,2,4-triazol-1-yl)phenyl]-1H-pyrazole-5-sulfonamide (PubChem CID 102692481) has the molecular formula C11H10N6O2S and a molecular weight of 290.31 g/mol. Its IUPAC name is N-[2-(1,2,4-triazol-1-yl)phenyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(1,2,4-triazol-1-yl)phenyl]-1H-pyrazole-5-sulfonamide
PubChem CID102692481
Molecular FormulaC11H10N6O2S
Molecular Weight290.31 g/mol
Exact Mass290.06
IUPAC NameN-[2-(1,2,4-triazol-1-yl)phenyl]-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccccc1-n1cncn1)c1ccn[nH]1
InChIInChI=1S/C11H10N6O2S/c18-20(19,11-5-6-13-15-11)16-9-3-1-2-4-10(9)17-8-12-7-14-17/h1-8,16H,(H,13,15)
InChIKeyRLHLYAWGWARUBJ-UHFFFAOYSA-N
XLogP0.79
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,4-triazol-1-yl)phenyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-[2-(1,2,4-triazol-1-yl)phenyl]-1H-pyrazole-5-sulfonamide (CID 102692481) is N-[2-(1,2,4-triazol-1-yl)phenyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-[2-(1,2,4-triazol-1-yl)phenyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-[2-(1,2,4-triazol-1-yl)phenyl]-1H-pyrazole-5-sulfonamide is O=S(=O)(Nc1ccccc1-n1cncn1)c1ccn[nH]1.
What is the InChIKey of N-[2-(1,2,4-triazol-1-yl)phenyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is RLHLYAWGWARUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O2S/c18-20(19,11-5-6-13-15-11)16-9-3-1-2-4-10(9)17-8-12-7-14-17/h1-8,16H,(H,13,15).
What are the key properties of N-[2-(1,2,4-triazol-1-yl)phenyl]-1H-pyrazole-5-sulfonamide?
N-[2-(1,2,4-triazol-1-yl)phenyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 290.31 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,4-triazol-1-yl)phenyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102692481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).