6-methyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)quinoline-8-sulfonamide

C15H17N5O2S — CID 167777413

IUPAC6-methyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)quinoline-8-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2n[nH]c(C(C)C)n2)c2ncccc2c1
InChIInChI=1S/C15H17N5O2S/c1-9(2)14-17-15(19-18-14)20-23(21,22)12-8-10(3)7-11-5-4-6-16-13(11)12/h4-9H,1-3H3,(H2,17,18,19,20)
InChIKeyHZHJZKJGIVSPGC-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.59
Rot. Bonds4

About 6-methyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)quinoline-8-sulfonamide

6-methyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)quinoline-8-sulfonamide (PubChem CID 167777413) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is 6-methyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)quinoline-8-sulfonamide.

Molecular Properties

Compound Name6-methyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)quinoline-8-sulfonamide
PubChem CID167777413
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC Name6-methyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)quinoline-8-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2n[nH]c(C(C)C)n2)c2ncccc2c1
InChIInChI=1S/C15H17N5O2S/c1-9(2)14-17-15(19-18-14)20-23(21,22)12-8-10(3)7-11-5-4-6-16-13(11)12/h4-9H,1-3H3,(H2,17,18,19,20)
InChIKeyHZHJZKJGIVSPGC-UHFFFAOYSA-N
XLogP2.59
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)quinoline-8-sulfonamide?
The IUPAC name of 6-methyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)quinoline-8-sulfonamide (CID 167777413) is 6-methyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)quinoline-8-sulfonamide.
What is the SMILES notation for 6-methyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)quinoline-8-sulfonamide?
The canonical SMILES for 6-methyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)quinoline-8-sulfonamide is Cc1cc(S(=O)(=O)Nc2n[nH]c(C(C)C)n2)c2ncccc2c1.
What is the InChIKey of 6-methyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)quinoline-8-sulfonamide?
The InChIKey is HZHJZKJGIVSPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S/c1-9(2)14-17-15(19-18-14)20-23(21,22)12-8-10(3)7-11-5-4-6-16-13(11)12/h4-9H,1-3H3,(H2,17,18,19,20).
What are the key properties of 6-methyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)quinoline-8-sulfonamide?
6-methyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)quinoline-8-sulfonamide has a molecular weight of 331.40 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)quinoline-8-sulfonamide is sourced from PubChem (CID 167777413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).