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

C13H16N4O2S — CID 103303743

IUPAC3-(propylamino)-N-pyridin-2-ylpyridine-2-sulfonamide
SMILESCCCNc1cccnc1S(=O)(=O)Nc1ccccn1
InChIInChI=1S/C13H16N4O2S/c1-2-8-14-11-6-5-10-16-13(11)20(18,19)17-12-7-3-4-9-15-12/h3-7,9-10,14H,2,8H2,1H3,(H,15,17)
InChIKeyUFHABOCINNARCS-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.10
Rot. Bonds6

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

3-(propylamino)-N-pyridin-2-ylpyridine-2-sulfonamide (PubChem CID 103303743) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 3-(propylamino)-N-pyridin-2-ylpyridine-2-sulfonamide.

Molecular Properties

Compound Name3-(propylamino)-N-pyridin-2-ylpyridine-2-sulfonamide
PubChem CID103303743
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name3-(propylamino)-N-pyridin-2-ylpyridine-2-sulfonamide
SMILESCCCNc1cccnc1S(=O)(=O)Nc1ccccn1
InChIInChI=1S/C13H16N4O2S/c1-2-8-14-11-6-5-10-16-13(11)20(18,19)17-12-7-3-4-9-15-12/h3-7,9-10,14H,2,8H2,1H3,(H,15,17)
InChIKeyUFHABOCINNARCS-UHFFFAOYSA-N
XLogP2.10
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(propylamino)-N-pyrimidin-2-ylpyridine-2-sulfonamide
CID 103303452
N-(5-methyl-2-pyridinyl)-3-(propylamino)pyridine-2-sulfonamide
CID 103303494
N-methyl-3-(propylamino)pyridine-2-sulfonamide
CID 103303712
N-ethyl-3-(propylamino)pyridine-2-sulfonamide
CID 103303728
N-(3-fluorophenyl)-3-(propylamino)pyridine-2-sulfonamide
CID 103303892
N-(3-ethylpentan-3-yl)-3-(propylamino)pyridine-2-sulfonamide
CID 103306299
N-(4-methylpentan-2-yl)-3-(propylamino)pyridine-2-sulfonamide
CID 103304534
N-(2,2-difluoroethyl)-3-(propylamino)pyridine-2-sulfonamide
CID 103306685
N,N-diethyl-3-(propylamino)pyridine-2-sulfonamide
CID 103303638
N-(2-bromophenyl)-3-(ethylamino)pyridine-2-sulfonamide
CID 103303927
3-(ethylamino)-N-(6-methyl-2-pyridinyl)pyridine-2-sulfonamide
CID 103303472
N-(3-methylcyclobutyl)-3-(propylamino)pyridine-2-sulfonamide
CID 103307276

Frequently Asked Questions

What is the IUPAC name of 3-(propylamino)-N-pyridin-2-ylpyridine-2-sulfonamide?
The IUPAC name of 3-(propylamino)-N-pyridin-2-ylpyridine-2-sulfonamide (CID 103303743) is 3-(propylamino)-N-pyridin-2-ylpyridine-2-sulfonamide.
What is the SMILES notation for 3-(propylamino)-N-pyridin-2-ylpyridine-2-sulfonamide?
The canonical SMILES for 3-(propylamino)-N-pyridin-2-ylpyridine-2-sulfonamide is CCCNc1cccnc1S(=O)(=O)Nc1ccccn1.
What is the InChIKey of 3-(propylamino)-N-pyridin-2-ylpyridine-2-sulfonamide?
The InChIKey is UFHABOCINNARCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-2-8-14-11-6-5-10-16-13(11)20(18,19)17-12-7-3-4-9-15-12/h3-7,9-10,14H,2,8H2,1H3,(H,15,17).
What are the key properties of 3-(propylamino)-N-pyridin-2-ylpyridine-2-sulfonamide?
3-(propylamino)-N-pyridin-2-ylpyridine-2-sulfonamide has a molecular weight of 292.36 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propylamino)-N-pyridin-2-ylpyridine-2-sulfonamide is sourced from PubChem (CID 103303743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).