4-propyl-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]benzenesulfonamide

C15H16N6O2S — CID 121135484

IUPAC4-propyl-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]benzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2cc(-n3cncn3)ncn2)cc1
InChIInChI=1S/C15H16N6O2S/c1-2-3-12-4-6-13(7-5-12)24(22,23)20-14-8-15(18-10-17-14)21-11-16-9-19-21/h4-11H,2-3H2,1H3,(H,17,18,20)
InChIKeyMZGKIYAVGLCNAB-UHFFFAOYSA-N
MW344.40 g/mol
LogP1.81
Rot. Bonds6

About 4-propyl-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]benzenesulfonamide

4-propyl-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]benzenesulfonamide (PubChem CID 121135484) has the molecular formula C15H16N6O2S and a molecular weight of 344.40 g/mol. Its IUPAC name is 4-propyl-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-propyl-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]benzenesulfonamide
PubChem CID121135484
Molecular FormulaC15H16N6O2S
Molecular Weight344.40 g/mol
Exact Mass344.11
IUPAC Name4-propyl-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]benzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2cc(-n3cncn3)ncn2)cc1
InChIInChI=1S/C15H16N6O2S/c1-2-3-12-4-6-13(7-5-12)24(22,23)20-14-8-15(18-10-17-14)21-11-16-9-19-21/h4-11H,2-3H2,1H3,(H,17,18,20)
InChIKeyMZGKIYAVGLCNAB-UHFFFAOYSA-N
XLogP1.81
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 121135441
4-fluoro-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 121135423
2-(4-ethylphenoxy)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]ethanesulfonamide
CID 121135488
1-(3-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]methanesulfonamide
CID 121135495
4-propyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 50842192
4-propyl-N-pyridin-2-ylbenzenesulfonamide
CID 3269642
N-[2-(4-fluorophenyl)ethyl]-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine
CID 155942152
2,4-dichloro-5-methyl-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]benzenesulfonamide
CID 121135483
5-bromo-2-methoxy-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]benzenesulfonamide
CID 121135452
4-fluoro-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide
CID 121135011
N-(5-ethyl-1H-pyrazol-3-yl)-4-propylbenzenesulfonamide
CID 115701449
4-ethyl-N-[2-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide
CID 35368037

Frequently Asked Questions

What is the IUPAC name of 4-propyl-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-propyl-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]benzenesulfonamide (CID 121135484) is 4-propyl-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-propyl-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-propyl-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]benzenesulfonamide is CCCc1ccc(S(=O)(=O)Nc2cc(-n3cncn3)ncn2)cc1.
What is the InChIKey of 4-propyl-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]benzenesulfonamide?
The InChIKey is MZGKIYAVGLCNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2S/c1-2-3-12-4-6-13(7-5-12)24(22,23)20-14-8-15(18-10-17-14)21-11-16-9-19-21/h4-11H,2-3H2,1H3,(H,17,18,20).
What are the key properties of 4-propyl-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]benzenesulfonamide?
4-propyl-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]benzenesulfonamide has a molecular weight of 344.40 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 121135484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).