N-(5-fluoro-2-pyridinyl)-2-(propylamino)pyridine-3-sulfonamide

C13H15FN4O2S — CID 65480888

IUPACN-(5-fluoro-2-pyridinyl)-2-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ncccc1S(=O)(=O)Nc1ccc(F)cn1
InChIInChI=1S/C13H15FN4O2S/c1-2-7-15-13-11(4-3-8-16-13)21(19,20)18-12-6-5-10(14)9-17-12/h3-6,8-9H,2,7H2,1H3,(H,15,16)(H,17,18)
InChIKeyLQXIORKDUILLIF-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.24
Rot. Bonds6

About N-(5-fluoro-2-pyridinyl)-2-(propylamino)pyridine-3-sulfonamide

N-(5-fluoro-2-pyridinyl)-2-(propylamino)pyridine-3-sulfonamide (PubChem CID 65480888) has the molecular formula C13H15FN4O2S and a molecular weight of 310.35 g/mol. Its IUPAC name is N-(5-fluoro-2-pyridinyl)-2-(propylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(5-fluoro-2-pyridinyl)-2-(propylamino)pyridine-3-sulfonamide
PubChem CID65480888
Molecular FormulaC13H15FN4O2S
Molecular Weight310.35 g/mol
Exact Mass310.09
IUPAC NameN-(5-fluoro-2-pyridinyl)-2-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ncccc1S(=O)(=O)Nc1ccc(F)cn1
InChIInChI=1S/C13H15FN4O2S/c1-2-7-15-13-11(4-3-8-16-13)21(19,20)18-12-6-5-10(14)9-17-12/h3-6,8-9H,2,7H2,1H3,(H,15,16)(H,17,18)
InChIKeyLQXIORKDUILLIF-UHFFFAOYSA-N
XLogP2.24
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-2-pyridinyl)-2-(propylamino)pyridine-3-sulfonamide
CID 103094788
2-chloro-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide
CID 113023545
N-(1,2-oxazol-4-yl)-2-(propylamino)pyridine-3-sulfonamide
CID 62915805
N-(2-iodophenyl)-2-(propylamino)pyridine-3-sulfonamide
CID 62144258
N-(2,2-difluoroethyl)-2-(propylamino)pyridine-3-sulfonamide
CID 113304047
N-(2-methyl-4-pyridinyl)-2-(propylamino)pyridine-3-sulfonamide
CID 79233082
N-(3-methylphenyl)-2-(propylamino)pyridine-3-sulfonamide
CID 62149101
N-(2,2-dimethylcyclopropyl)-2-(propylamino)pyridine-3-sulfonamide
CID 55043650
4-bromo-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide
CID 113023499
N-pentan-2-yl-2-(propylamino)pyridine-3-sulfonamide
CID 55044262
2-hydrazinyl-N-(5-methyl-2-pyridinyl)pyridine-3-sulfonamide
CID 43456730
N-(5-chloro-2-pyridinyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62143012

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-pyridinyl)-2-(propylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(5-fluoro-2-pyridinyl)-2-(propylamino)pyridine-3-sulfonamide (CID 65480888) is N-(5-fluoro-2-pyridinyl)-2-(propylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(5-fluoro-2-pyridinyl)-2-(propylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(5-fluoro-2-pyridinyl)-2-(propylamino)pyridine-3-sulfonamide is CCCNc1ncccc1S(=O)(=O)Nc1ccc(F)cn1.
What is the InChIKey of N-(5-fluoro-2-pyridinyl)-2-(propylamino)pyridine-3-sulfonamide?
The InChIKey is LQXIORKDUILLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O2S/c1-2-7-15-13-11(4-3-8-16-13)21(19,20)18-12-6-5-10(14)9-17-12/h3-6,8-9H,2,7H2,1H3,(H,15,16)(H,17,18).
What are the key properties of N-(5-fluoro-2-pyridinyl)-2-(propylamino)pyridine-3-sulfonamide?
N-(5-fluoro-2-pyridinyl)-2-(propylamino)pyridine-3-sulfonamide has a molecular weight of 310.35 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-pyridinyl)-2-(propylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 65480888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).