5-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)furan-2-sulfonamide

C14H13N5O3S — CID 70814330

IUPAC5-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)furan-2-sulfonamide
SMILESCc1nc(NS(=O)(=O)c2ccc(C)o2)nc(-c2ccccn2)n1
InChIInChI=1S/C14H13N5O3S/c1-9-6-7-12(22-9)23(20,21)19-14-17-10(2)16-13(18-14)11-5-3-4-8-15-11/h3-8H,1-2H3,(H,16,17,18,19)
InChIKeyCKEIQQGXYBCTHM-UHFFFAOYSA-N
MW331.36 g/mol
LogP1.94
Rot. Bonds4

About 5-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)furan-2-sulfonamide

5-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)furan-2-sulfonamide (PubChem CID 70814330) has the molecular formula C14H13N5O3S and a molecular weight of 331.36 g/mol. Its IUPAC name is 5-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)furan-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)furan-2-sulfonamide
PubChem CID70814330
Molecular FormulaC14H13N5O3S
Molecular Weight331.36 g/mol
Exact Mass331.07
IUPAC Name5-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)furan-2-sulfonamide
SMILESCc1nc(NS(=O)(=O)c2ccc(C)o2)nc(-c2ccccn2)n1
InChIInChI=1S/C14H13N5O3S/c1-9-6-7-12(22-9)23(20,21)19-14-17-10(2)16-13(18-14)11-5-3-4-8-15-11/h3-8H,1-2H3,(H,16,17,18,19)
InChIKeyCKEIQQGXYBCTHM-UHFFFAOYSA-N
XLogP1.94
TPSA110.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)furan-2-sulfonamide?
The IUPAC name of 5-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)furan-2-sulfonamide (CID 70814330) is 5-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)furan-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)furan-2-sulfonamide?
The canonical SMILES for 5-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)furan-2-sulfonamide is Cc1nc(NS(=O)(=O)c2ccc(C)o2)nc(-c2ccccn2)n1.
What is the InChIKey of 5-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)furan-2-sulfonamide?
The InChIKey is CKEIQQGXYBCTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O3S/c1-9-6-7-12(22-9)23(20,21)19-14-17-10(2)16-13(18-14)11-5-3-4-8-15-11/h3-8H,1-2H3,(H,16,17,18,19).
What are the key properties of 5-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)furan-2-sulfonamide?
5-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)furan-2-sulfonamide has a molecular weight of 331.36 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)furan-2-sulfonamide is sourced from PubChem (CID 70814330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).