6-(2-phenylethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide

C19H23N5O2S — CID 58561325

IUPAC6-(2-phenylethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(NCCc2ccccc2)nc1
InChIInChI=1S/C19H23N5O2S/c1-14-19(15(2)24(3)22-14)23-27(25,26)17-9-10-18(21-13-17)20-12-11-16-7-5-4-6-8-16/h4-10,13,23H,11-12H2,1-3H3,(H,20,21)
InChIKeyJVOWRFSZBJEXRH-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.89
Rot. Bonds7

About 6-(2-phenylethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide

6-(2-phenylethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide (PubChem CID 58561325) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is 6-(2-phenylethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(2-phenylethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
PubChem CID58561325
Molecular FormulaC19H23N5O2S
Molecular Weight385.49 g/mol
Exact Mass385.16
IUPAC Name6-(2-phenylethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(NCCc2ccccc2)nc1
InChIInChI=1S/C19H23N5O2S/c1-14-19(15(2)24(3)22-14)23-27(25,26)17-9-10-18(21-13-17)20-12-11-16-7-5-4-6-8-16/h4-10,13,23H,11-12H2,1-3H3,(H,20,21)
InChIKeyJVOWRFSZBJEXRH-UHFFFAOYSA-N
XLogP2.89
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-phenylethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-(2-phenylethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide (CID 58561325) is 6-(2-phenylethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-(2-phenylethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-(2-phenylethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide is Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(NCCc2ccccc2)nc1.
What is the InChIKey of 6-(2-phenylethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The InChIKey is JVOWRFSZBJEXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2S/c1-14-19(15(2)24(3)22-14)23-27(25,26)17-9-10-18(21-13-17)20-12-11-16-7-5-4-6-8-16/h4-10,13,23H,11-12H2,1-3H3,(H,20,21).
What are the key properties of 6-(2-phenylethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
6-(2-phenylethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide has a molecular weight of 385.49 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenylethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 58561325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).