3-(ethylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-sulfonamide

C12H17N5O2S — CID 103305421

IUPAC3-(ethylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-sulfonamide
SMILESCCNc1cccnc1S(=O)(=O)NCc1cnn(C)c1
InChIInChI=1S/C12H17N5O2S/c1-3-13-11-5-4-6-14-12(11)20(18,19)16-8-10-7-15-17(2)9-10/h4-7,9,13,16H,3,8H2,1-2H3
InChIKeyYQLWNXFYZBUBIF-UHFFFAOYSA-N
MW295.37 g/mol
LogP0.73
Rot. Bonds6

About 3-(ethylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-sulfonamide

3-(ethylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-sulfonamide (PubChem CID 103305421) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is 3-(ethylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name3-(ethylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-sulfonamide
PubChem CID103305421
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC Name3-(ethylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-sulfonamide
SMILESCCNc1cccnc1S(=O)(=O)NCc1cnn(C)c1
InChIInChI=1S/C12H17N5O2S/c1-3-13-11-5-4-6-14-12(11)20(18,19)16-8-10-7-15-17(2)9-10/h4-7,9,13,16H,3,8H2,1-2H3
InChIKeyYQLWNXFYZBUBIF-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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Related Compounds

N-(2-cyclopentylethyl)-3-(ethylamino)pyridine-2-sulfonamide
CID 103304931
3-(ethylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-2-sulfonamide
CID 106376687
3-(ethylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2-sulfonamide
CID 103305089
3-(ethylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-sulfonamide
CID 103306593
3-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-sulfonamide
CID 103305202
3-(ethylamino)-N-(2H-tetrazol-5-ylmethyl)pyridine-2-sulfonamide
CID 103305294
3-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)pyridine-2-sulfonamide
CID 103306625
3-(ethylamino)-N-[(5-methylthiophen-2-yl)methyl]pyridine-2-sulfonamide
CID 103304947
3-(ethylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-sulfonamide
CID 103306246
3-(ethylamino)-N-[2-(triazol-1-yl)ethyl]pyridine-2-sulfonamide
CID 103307155
3-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-2-sulfonamide
CID 103306115
3-(ethylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2-sulfonamide
CID 106407708

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-sulfonamide?
The IUPAC name of 3-(ethylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-sulfonamide (CID 103305421) is 3-(ethylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-sulfonamide.
What is the SMILES notation for 3-(ethylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-sulfonamide?
The canonical SMILES for 3-(ethylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-sulfonamide is CCNc1cccnc1S(=O)(=O)NCc1cnn(C)c1.
What is the InChIKey of 3-(ethylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-sulfonamide?
The InChIKey is YQLWNXFYZBUBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-3-13-11-5-4-6-14-12(11)20(18,19)16-8-10-7-15-17(2)9-10/h4-7,9,13,16H,3,8H2,1-2H3.
What are the key properties of 3-(ethylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-sulfonamide?
3-(ethylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-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 3-(ethylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-sulfonamide is sourced from PubChem (CID 103305421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).