6-(1-phenylethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide

C19H23N5O2S — CID 58561369

IUPAC6-(1-phenylethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(NC(C)c2ccccc2)nc1
InChIInChI=1S/C19H23N5O2S/c1-13(16-8-6-5-7-9-16)21-18-11-10-17(12-20-18)27(25,26)23-19-14(2)22-24(4)15(19)3/h5-13,23H,1-4H3,(H,20,21)
InChIKeyVGXRXUDIUUZHIM-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.41
Rot. Bonds6

About 6-(1-phenylethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide

6-(1-phenylethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide (PubChem CID 58561369) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is 6-(1-phenylethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(1-phenylethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
PubChem CID58561369
Molecular FormulaC19H23N5O2S
Molecular Weight385.49 g/mol
Exact Mass385.16
IUPAC Name6-(1-phenylethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(NC(C)c2ccccc2)nc1
InChIInChI=1S/C19H23N5O2S/c1-13(16-8-6-5-7-9-16)21-18-11-10-17(12-20-18)27(25,26)23-19-14(2)22-24(4)15(19)3/h5-13,23H,1-4H3,(H,20,21)
InChIKeyVGXRXUDIUUZHIM-UHFFFAOYSA-N
XLogP3.41
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1-phenylethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-(1-phenylethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide (CID 58561369) is 6-(1-phenylethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-(1-phenylethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-(1-phenylethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide is Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(NC(C)c2ccccc2)nc1.
What is the InChIKey of 6-(1-phenylethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The InChIKey is VGXRXUDIUUZHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2S/c1-13(16-8-6-5-7-9-16)21-18-11-10-17(12-20-18)27(25,26)23-19-14(2)22-24(4)15(19)3/h5-13,23H,1-4H3,(H,20,21).
What are the key properties of 6-(1-phenylethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
6-(1-phenylethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide has a molecular weight of 385.49 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-phenylethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 58561369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).