N-[1-(furan-2-yl)ethyl]-6-(methylamino)pyridine-3-sulfonamide

C12H15N3O3S — CID 62147836

IUPACN-[1-(furan-2-yl)ethyl]-6-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ccc(S(=O)(=O)NC(C)c2ccco2)cn1
InChIInChI=1S/C12H15N3O3S/c1-9(11-4-3-7-18-11)15-19(16,17)10-5-6-12(13-2)14-8-10/h3-9,15H,1-2H3,(H,13,14)
InChIKeyFVNILRGYOBGPPB-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.76
Rot. Bonds5

About N-[1-(furan-2-yl)ethyl]-6-(methylamino)pyridine-3-sulfonamide

N-[1-(furan-2-yl)ethyl]-6-(methylamino)pyridine-3-sulfonamide (PubChem CID 62147836) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-6-(methylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-6-(methylamino)pyridine-3-sulfonamide
PubChem CID62147836
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC NameN-[1-(furan-2-yl)ethyl]-6-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ccc(S(=O)(=O)NC(C)c2ccco2)cn1
InChIInChI=1S/C12H15N3O3S/c1-9(11-4-3-7-18-11)15-19(16,17)10-5-6-12(13-2)14-8-10/h3-9,15H,1-2H3,(H,13,14)
InChIKeyFVNILRGYOBGPPB-UHFFFAOYSA-N
XLogP1.76
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 8817386
3,4-difluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 8817807
N-(3,5-difluorophenyl)-6-[1-(furan-2-yl)ethylamino]pyridine-3-sulfonamide
CID 133358492
N-[(1S)-1-(furan-2-yl)ethyl]-3,4-dimethylbenzenesulfonamide
CID 8817485
6-(methylamino)-N-pentan-2-ylpyridine-3-sulfonamide
CID 55044216
4-(ethylamino)-N-[1-(furan-2-yl)ethyl]benzenesulfonamide
CID 62147659
N-hexan-2-yl-6-(methylamino)pyridine-3-sulfonamide
CID 62200287
4-(2-chloroethyl)-N-[(1R)-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 107858812
N-[(1S)-1-(furan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 8817788
N-[1-(furan-2-yl)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 110731592
N-[(1S)-1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 8817714
N-[1-(furan-2-yl)ethyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421881

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-6-(methylamino)pyridine-3-sulfonamide?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-6-(methylamino)pyridine-3-sulfonamide (CID 62147836) is N-[1-(furan-2-yl)ethyl]-6-(methylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-6-(methylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-6-(methylamino)pyridine-3-sulfonamide is CNc1ccc(S(=O)(=O)NC(C)c2ccco2)cn1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-6-(methylamino)pyridine-3-sulfonamide?
The InChIKey is FVNILRGYOBGPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-9(11-4-3-7-18-11)15-19(16,17)10-5-6-12(13-2)14-8-10/h3-9,15H,1-2H3,(H,13,14).
What are the key properties of N-[1-(furan-2-yl)ethyl]-6-(methylamino)pyridine-3-sulfonamide?
N-[1-(furan-2-yl)ethyl]-6-(methylamino)pyridine-3-sulfonamide has a molecular weight of 281.34 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-6-(methylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 62147836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).