N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]pyridine-3-carboxamide

C18H16N2O4S — CID 110315139

IUPACN-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCC(c1ccco1)S(=O)(=O)c1ccccc1)c1cccnc1
InChIInChI=1S/C18H16N2O4S/c21-18(14-6-4-10-19-12-14)20-13-17(16-9-5-11-24-16)25(22,23)15-7-2-1-3-8-15/h1-12,17H,13H2,(H,20,21)
InChIKeyPMAWUQBPVHZQTB-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.62
Rot. Bonds6

About N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]pyridine-3-carboxamide

N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]pyridine-3-carboxamide (PubChem CID 110315139) has the molecular formula C18H16N2O4S and a molecular weight of 356.40 g/mol. Its IUPAC name is N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]pyridine-3-carboxamide
PubChem CID110315139
Molecular FormulaC18H16N2O4S
Molecular Weight356.40 g/mol
Exact Mass356.08
IUPAC NameN-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCC(c1ccco1)S(=O)(=O)c1ccccc1)c1cccnc1
InChIInChI=1S/C18H16N2O4S/c21-18(14-6-4-10-19-12-14)20-13-17(16-9-5-11-24-16)25(22,23)15-7-2-1-3-8-15/h1-12,17H,13H2,(H,20,21)
InChIKeyPMAWUQBPVHZQTB-UHFFFAOYSA-N
XLogP2.62
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]benzamide
CID 9153361
N-[(2S)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]pyridine-3-carboxamide
CID 9159404
N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]pyridine-4-carboxamide
CID 9153775
N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-2-fluorobenzamide
CID 22584447
4-chloro-N-[2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide
CID 22584561
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-3-methylbenzamide
CID 9153392
N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 9155547
N-[2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 21002140
N-[(2S)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-3-carboxamide
CID 9157955
N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-2-methoxybenzamide
CID 110315127
N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide
CID 20962937
N-[(2R)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide
CID 26792820

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]pyridine-3-carboxamide (CID 110315139) is N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]pyridine-3-carboxamide is O=C(NCC(c1ccco1)S(=O)(=O)c1ccccc1)c1cccnc1.
What is the InChIKey of N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is PMAWUQBPVHZQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4S/c21-18(14-6-4-10-19-12-14)20-13-17(16-9-5-11-24-16)25(22,23)15-7-2-1-3-8-15/h1-12,17H,13H2,(H,20,21).
What are the key properties of N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]pyridine-3-carboxamide?
N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 356.40 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 110315139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).