5-chloro-N-ethyl-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide

C12H13ClN2O4S — CID 64606165

IUPAC5-chloro-N-ethyl-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCCN(Cc1ccco1)S(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C12H13ClN2O4S/c1-2-15(8-9-4-3-5-19-9)20(17,18)10-6-11(13)12(16)14-7-10/h3-7H,2,8H2,1H3,(H,14,16)
InChIKeyAYQBCKSHZNEIBK-UHFFFAOYSA-N
MW316.77 g/mol
LogP1.83
Rot. Bonds5

About 5-chloro-N-ethyl-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide

5-chloro-N-ethyl-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 64606165) has the molecular formula C12H13ClN2O4S and a molecular weight of 316.77 g/mol. Its IUPAC name is 5-chloro-N-ethyl-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-ethyl-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID64606165
Molecular FormulaC12H13ClN2O4S
Molecular Weight316.77 g/mol
Exact Mass316.03
IUPAC Name5-chloro-N-ethyl-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCCN(Cc1ccco1)S(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C12H13ClN2O4S/c1-2-15(8-9-4-3-5-19-9)20(17,18)10-6-11(13)12(16)14-7-10/h3-7H,2,8H2,1H3,(H,14,16)
InChIKeyAYQBCKSHZNEIBK-UHFFFAOYSA-N
XLogP1.83
TPSA83.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.77
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-ethyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide
CID 64607138
4-amino-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 61105124
N-ethyl-N-(furan-2-ylmethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421940
4-(bromomethyl)-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 65480815
3-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 61423669
5-chloro-N-ethyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-3-sulfonamide
CID 64606943
3-chloro-N-ethyl-N-(furan-2-ylmethyl)propane-1-sulfonamide
CID 60958479
2-amino-5-bromo-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 61106070
4-amino-N-ethyl-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
CID 61107370
5-chloro-N-(4-ethylphenyl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide
CID 64607143
5-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64608264
4-chloro-N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 1165373

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-ethyl-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide (CID 64606165) is 5-chloro-N-ethyl-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-ethyl-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-ethyl-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide is CCN(Cc1ccco1)S(=O)(=O)c1c[nH]c(=O)c(Cl)c1.
What is the InChIKey of 5-chloro-N-ethyl-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is AYQBCKSHZNEIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O4S/c1-2-15(8-9-4-3-5-19-9)20(17,18)10-6-11(13)12(16)14-7-10/h3-7H,2,8H2,1H3,(H,14,16).
What are the key properties of 5-chloro-N-ethyl-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide?
5-chloro-N-ethyl-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 316.77 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 64606165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).