N-phenyl-2H-triazole-4-sulfonamide;pyrimidine

C12H12N6O2S — CID 174514310

IUPACN-phenyl-2H-triazole-4-sulfonamide;pyrimidine
SMILESO=S(=O)(Nc1ccccc1)c1cn[nH]n1.c1cncnc1
InChIInChI=1S/C8H8N4O2S.C4H4N2/c13-15(14,8-6-9-12-10-8)11-7-4-2-1-3-5-7;1-2-5-4-6-3-1/h1-6,11H,(H,9,10,12);1-4H
InChIKeyOGCSMQVEBGQTIX-UHFFFAOYSA-N
MW304.34 g/mol
LogP1.08
Rot. Bonds3

About N-phenyl-2H-triazole-4-sulfonamide;pyrimidine

N-phenyl-2H-triazole-4-sulfonamide;pyrimidine (PubChem CID 174514310) has the molecular formula C12H12N6O2S and a molecular weight of 304.34 g/mol. Its IUPAC name is N-phenyl-2H-triazole-4-sulfonamide;pyrimidine.

Molecular Properties

Compound NameN-phenyl-2H-triazole-4-sulfonamide;pyrimidine
PubChem CID174514310
Molecular FormulaC12H12N6O2S
Molecular Weight304.34 g/mol
Exact Mass304.07
IUPAC NameN-phenyl-2H-triazole-4-sulfonamide;pyrimidine
SMILESO=S(=O)(Nc1ccccc1)c1cn[nH]n1.c1cncnc1
InChIInChI=1S/C8H8N4O2S.C4H4N2/c13-15(14,8-6-9-12-10-8)11-7-4-2-1-3-5-7;1-2-5-4-6-3-1/h1-6,11H,(H,9,10,12);1-4H
InChIKeyOGCSMQVEBGQTIX-UHFFFAOYSA-N
XLogP1.08
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-2H-triazole-4-sulfonamide;pyrimidine?
The IUPAC name of N-phenyl-2H-triazole-4-sulfonamide;pyrimidine (CID 174514310) is N-phenyl-2H-triazole-4-sulfonamide;pyrimidine.
What is the SMILES notation for N-phenyl-2H-triazole-4-sulfonamide;pyrimidine?
The canonical SMILES for N-phenyl-2H-triazole-4-sulfonamide;pyrimidine is O=S(=O)(Nc1ccccc1)c1cn[nH]n1.c1cncnc1.
What is the InChIKey of N-phenyl-2H-triazole-4-sulfonamide;pyrimidine?
The InChIKey is OGCSMQVEBGQTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2S.C4H4N2/c13-15(14,8-6-9-12-10-8)11-7-4-2-1-3-5-7;1-2-5-4-6-3-1/h1-6,11H,(H,9,10,12);1-4H.
What are the key properties of N-phenyl-2H-triazole-4-sulfonamide;pyrimidine?
N-phenyl-2H-triazole-4-sulfonamide;pyrimidine has a molecular weight of 304.34 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2H-triazole-4-sulfonamide;pyrimidine is sourced from PubChem (CID 174514310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).