N-[5-(furan-2-ylmethylamino)-2-pyridinyl]butane-1-sulfonamide

C14H19N3O3S — CID 113026308

IUPACN-[5-(furan-2-ylmethylamino)-2-pyridinyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(NCc2ccco2)cn1
InChIInChI=1S/C14H19N3O3S/c1-2-3-9-21(18,19)17-14-7-6-12(10-16-14)15-11-13-5-4-8-20-13/h4-8,10,15H,2-3,9,11H2,1H3,(H,16,17)
InChIKeyLHXPLCOSEHFPMW-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.83
Rot. Bonds8

About N-[5-(furan-2-ylmethylamino)-2-pyridinyl]butane-1-sulfonamide

N-[5-(furan-2-ylmethylamino)-2-pyridinyl]butane-1-sulfonamide (PubChem CID 113026308) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-[5-(furan-2-ylmethylamino)-2-pyridinyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[5-(furan-2-ylmethylamino)-2-pyridinyl]butane-1-sulfonamide
PubChem CID113026308
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC NameN-[5-(furan-2-ylmethylamino)-2-pyridinyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(NCc2ccco2)cn1
InChIInChI=1S/C14H19N3O3S/c1-2-3-9-21(18,19)17-14-7-6-12(10-16-14)15-11-13-5-4-8-20-13/h4-8,10,15H,2-3,9,11H2,1H3,(H,16,17)
InChIKeyLHXPLCOSEHFPMW-UHFFFAOYSA-N
XLogP2.83
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(furan-2-ylmethylamino)-2-pyridinyl]pentanamide
CID 113026234
4-fluoro-N-[5-(furan-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide
CID 113026312
N-[5-(furan-2-ylmethylamino)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113026320
N-[5-(furan-2-ylmethylamino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113026317
5-(dimethylsulfamoylamino)-2-(furan-2-ylmethylamino)pyridine
CID 113011375
N-[4-(furan-2-ylmethylamino)phenyl]ethanesulfonamide
CID 54866288
N-[5-(cyclopropylamino)-2-pyridinyl]butane-1-sulfonamide
CID 113023763
N-[5-(2-methylanilino)-2-pyridinyl]butane-1-sulfonamide
CID 113031365
N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]propane-1-sulfonamide
CID 113027137
N-butyl-5-(furan-2-ylmethylamino)pyridine-2-carboxamide
CID 109180640
5-chloro-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]-2-methoxybenzenesulfonamide
CID 113011418
N-[6-[2-(2-methoxyphenyl)ethylamino]-3-pyridinyl]butane-1-sulfonamide
CID 113013406

Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-2-ylmethylamino)-2-pyridinyl]butane-1-sulfonamide?
The IUPAC name of N-[5-(furan-2-ylmethylamino)-2-pyridinyl]butane-1-sulfonamide (CID 113026308) is N-[5-(furan-2-ylmethylamino)-2-pyridinyl]butane-1-sulfonamide.
What is the SMILES notation for N-[5-(furan-2-ylmethylamino)-2-pyridinyl]butane-1-sulfonamide?
The canonical SMILES for N-[5-(furan-2-ylmethylamino)-2-pyridinyl]butane-1-sulfonamide is CCCCS(=O)(=O)Nc1ccc(NCc2ccco2)cn1.
What is the InChIKey of N-[5-(furan-2-ylmethylamino)-2-pyridinyl]butane-1-sulfonamide?
The InChIKey is LHXPLCOSEHFPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-2-3-9-21(18,19)17-14-7-6-12(10-16-14)15-11-13-5-4-8-20-13/h4-8,10,15H,2-3,9,11H2,1H3,(H,16,17).
What are the key properties of N-[5-(furan-2-ylmethylamino)-2-pyridinyl]butane-1-sulfonamide?
N-[5-(furan-2-ylmethylamino)-2-pyridinyl]butane-1-sulfonamide has a molecular weight of 309.39 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(furan-2-ylmethylamino)-2-pyridinyl]butane-1-sulfonamide is sourced from PubChem (CID 113026308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).