N-methyl-4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)furan-2-sulfonamide

C17H18N2O4S — CID 75514098

IUPACN-methyl-4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)furan-2-sulfonamide
SMILESCNS(=O)(=O)c1cc(C(=O)N2CC=C(c3ccccc3)CC2)co1
InChIInChI=1S/C17H18N2O4S/c1-18-24(21,22)16-11-15(12-23-16)17(20)19-9-7-14(8-10-19)13-5-3-2-4-6-13/h2-7,11-12,18H,8-10H2,1H3
InChIKeyYJHQXGGYZFCOBB-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.12
Rot. Bonds4

About N-methyl-4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)furan-2-sulfonamide

N-methyl-4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)furan-2-sulfonamide (PubChem CID 75514098) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-methyl-4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)furan-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)furan-2-sulfonamide
PubChem CID75514098
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC NameN-methyl-4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)furan-2-sulfonamide
SMILESCNS(=O)(=O)c1cc(C(=O)N2CC=C(c3ccccc3)CC2)co1
InChIInChI=1S/C17H18N2O4S/c1-18-24(21,22)16-11-15(12-23-16)17(20)19-9-7-14(8-10-19)13-5-3-2-4-6-13/h2-7,11-12,18H,8-10H2,1H3
InChIKeyYJHQXGGYZFCOBB-UHFFFAOYSA-N
XLogP2.12
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)furan-2-sulfonamide?
The IUPAC name of N-methyl-4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)furan-2-sulfonamide (CID 75514098) is N-methyl-4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)furan-2-sulfonamide.
What is the SMILES notation for N-methyl-4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)furan-2-sulfonamide?
The canonical SMILES for N-methyl-4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)furan-2-sulfonamide is CNS(=O)(=O)c1cc(C(=O)N2CC=C(c3ccccc3)CC2)co1.
What is the InChIKey of N-methyl-4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)furan-2-sulfonamide?
The InChIKey is YJHQXGGYZFCOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-18-24(21,22)16-11-15(12-23-16)17(20)19-9-7-14(8-10-19)13-5-3-2-4-6-13/h2-7,11-12,18H,8-10H2,1H3.
What are the key properties of N-methyl-4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)furan-2-sulfonamide?
N-methyl-4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)furan-2-sulfonamide has a molecular weight of 346.41 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)furan-2-sulfonamide is sourced from PubChem (CID 75514098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).