2-(ethylamino)-N-[(1-methylpyrazol-3-yl)methyl]pyridine-3-sulfonamide

C12H17N5O2S — CID 82875234

IUPAC2-(ethylamino)-N-[(1-methylpyrazol-3-yl)methyl]pyridine-3-sulfonamide
SMILESCCNc1ncccc1S(=O)(=O)NCc1ccn(C)n1
InChIInChI=1S/C12H17N5O2S/c1-3-13-12-11(5-4-7-14-12)20(18,19)15-9-10-6-8-17(2)16-10/h4-8,15H,3,9H2,1-2H3,(H,13,14)
InChIKeyLSHDDONWCGHGGR-UHFFFAOYSA-N
MW295.37 g/mol
LogP0.73
Rot. Bonds6

About 2-(ethylamino)-N-[(1-methylpyrazol-3-yl)methyl]pyridine-3-sulfonamide

2-(ethylamino)-N-[(1-methylpyrazol-3-yl)methyl]pyridine-3-sulfonamide (PubChem CID 82875234) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is 2-(ethylamino)-N-[(1-methylpyrazol-3-yl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[(1-methylpyrazol-3-yl)methyl]pyridine-3-sulfonamide
PubChem CID82875234
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC Name2-(ethylamino)-N-[(1-methylpyrazol-3-yl)methyl]pyridine-3-sulfonamide
SMILESCCNc1ncccc1S(=O)(=O)NCc1ccn(C)n1
InChIInChI=1S/C12H17N5O2S/c1-3-13-12-11(5-4-7-14-12)20(18,19)15-9-10-6-8-17(2)16-10/h4-8,15H,3,9H2,1-2H3,(H,13,14)
InChIKeyLSHDDONWCGHGGR-UHFFFAOYSA-N
XLogP0.73
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[(1-methylpyrazol-3-yl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 2-(ethylamino)-N-[(1-methylpyrazol-3-yl)methyl]pyridine-3-sulfonamide (CID 82875234) is 2-(ethylamino)-N-[(1-methylpyrazol-3-yl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-(ethylamino)-N-[(1-methylpyrazol-3-yl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-(ethylamino)-N-[(1-methylpyrazol-3-yl)methyl]pyridine-3-sulfonamide is CCNc1ncccc1S(=O)(=O)NCc1ccn(C)n1.
What is the InChIKey of 2-(ethylamino)-N-[(1-methylpyrazol-3-yl)methyl]pyridine-3-sulfonamide?
The InChIKey is LSHDDONWCGHGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-3-13-12-11(5-4-7-14-12)20(18,19)15-9-10-6-8-17(2)16-10/h4-8,15H,3,9H2,1-2H3,(H,13,14).
What are the key properties of 2-(ethylamino)-N-[(1-methylpyrazol-3-yl)methyl]pyridine-3-sulfonamide?
2-(ethylamino)-N-[(1-methylpyrazol-3-yl)methyl]pyridine-3-sulfonamide has a molecular weight of 295.37 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[(1-methylpyrazol-3-yl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 82875234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).