3-(propylamino)-N-pyrimidin-2-ylpyridine-2-sulfonamide

C12H15N5O2S — CID 103303452

IUPAC3-(propylamino)-N-pyrimidin-2-ylpyridine-2-sulfonamide
SMILESCCCNc1cccnc1S(=O)(=O)Nc1ncccn1
InChIInChI=1S/C12H15N5O2S/c1-2-6-13-10-5-3-7-14-11(10)20(18,19)17-12-15-8-4-9-16-12/h3-5,7-9,13H,2,6H2,1H3,(H,15,16,17)
InChIKeyUUWCSQDRQAWYMR-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.49
Rot. Bonds6

About 3-(propylamino)-N-pyrimidin-2-ylpyridine-2-sulfonamide

3-(propylamino)-N-pyrimidin-2-ylpyridine-2-sulfonamide (PubChem CID 103303452) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is 3-(propylamino)-N-pyrimidin-2-ylpyridine-2-sulfonamide.

Molecular Properties

Compound Name3-(propylamino)-N-pyrimidin-2-ylpyridine-2-sulfonamide
PubChem CID103303452
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC Name3-(propylamino)-N-pyrimidin-2-ylpyridine-2-sulfonamide
SMILESCCCNc1cccnc1S(=O)(=O)Nc1ncccn1
InChIInChI=1S/C12H15N5O2S/c1-2-6-13-10-5-3-7-14-11(10)20(18,19)17-12-15-8-4-9-16-12/h3-5,7-9,13H,2,6H2,1H3,(H,15,16,17)
InChIKeyUUWCSQDRQAWYMR-UHFFFAOYSA-N
XLogP1.49
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-3-(propylamino)pyridine-2-sulfonamide
CID 103303712
3-(propylamino)-N-pyridin-2-ylpyridine-2-sulfonamide
CID 103303743
N-ethyl-3-(propylamino)pyridine-2-sulfonamide
CID 103303728
N-(3-fluorophenyl)-3-(propylamino)pyridine-2-sulfonamide
CID 103303892
N-(5-methyl-2-pyridinyl)-3-(propylamino)pyridine-2-sulfonamide
CID 103303494
N-(3-ethylpentan-3-yl)-3-(propylamino)pyridine-2-sulfonamide
CID 103306299
3-(methylamino)-N-pyrimidin-2-ylpyridine-2-sulfonamide
CID 103303450
N-(2,2-difluoroethyl)-3-(propylamino)pyridine-2-sulfonamide
CID 103306685
N-(4-methylpentan-2-yl)-3-(propylamino)pyridine-2-sulfonamide
CID 103304534
N,N-diethyl-3-(propylamino)pyridine-2-sulfonamide
CID 103303638
N-(3-methylcyclobutyl)-3-(propylamino)pyridine-2-sulfonamide
CID 103307276
N-(1-methylsulfanylbutan-2-yl)-3-(propylamino)pyridine-2-sulfonamide
CID 103307489

Frequently Asked Questions

What is the IUPAC name of 3-(propylamino)-N-pyrimidin-2-ylpyridine-2-sulfonamide?
The IUPAC name of 3-(propylamino)-N-pyrimidin-2-ylpyridine-2-sulfonamide (CID 103303452) is 3-(propylamino)-N-pyrimidin-2-ylpyridine-2-sulfonamide.
What is the SMILES notation for 3-(propylamino)-N-pyrimidin-2-ylpyridine-2-sulfonamide?
The canonical SMILES for 3-(propylamino)-N-pyrimidin-2-ylpyridine-2-sulfonamide is CCCNc1cccnc1S(=O)(=O)Nc1ncccn1.
What is the InChIKey of 3-(propylamino)-N-pyrimidin-2-ylpyridine-2-sulfonamide?
The InChIKey is UUWCSQDRQAWYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S/c1-2-6-13-10-5-3-7-14-11(10)20(18,19)17-12-15-8-4-9-16-12/h3-5,7-9,13H,2,6H2,1H3,(H,15,16,17).
What are the key properties of 3-(propylamino)-N-pyrimidin-2-ylpyridine-2-sulfonamide?
3-(propylamino)-N-pyrimidin-2-ylpyridine-2-sulfonamide has a molecular weight of 293.35 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propylamino)-N-pyrimidin-2-ylpyridine-2-sulfonamide is sourced from PubChem (CID 103303452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).