N-(1,2-oxazol-3-ylmethyl)-4-oxo-1H-pyridine-3-sulfonamide

C9H9N3O4S — CID 81178508

IUPACN-(1,2-oxazol-3-ylmethyl)-4-oxo-1H-pyridine-3-sulfonamide
SMILESO=c1cc[nH]cc1S(=O)(=O)NCc1ccon1
InChIInChI=1S/C9H9N3O4S/c13-8-1-3-10-6-9(8)17(14,15)11-5-7-2-4-16-12-7/h1-4,6,11H,5H2,(H,10,13)
InChIKeyHCJLTLBCXFPBEA-UHFFFAOYSA-N
MW255.25 g/mol
LogP-0.16
Rot. Bonds4

About N-(1,2-oxazol-3-ylmethyl)-4-oxo-1H-pyridine-3-sulfonamide

N-(1,2-oxazol-3-ylmethyl)-4-oxo-1H-pyridine-3-sulfonamide (PubChem CID 81178508) has the molecular formula C9H9N3O4S and a molecular weight of 255.25 g/mol. Its IUPAC name is N-(1,2-oxazol-3-ylmethyl)-4-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(1,2-oxazol-3-ylmethyl)-4-oxo-1H-pyridine-3-sulfonamide
PubChem CID81178508
Molecular FormulaC9H9N3O4S
Molecular Weight255.25 g/mol
Exact Mass255.03
IUPAC NameN-(1,2-oxazol-3-ylmethyl)-4-oxo-1H-pyridine-3-sulfonamide
SMILESO=c1cc[nH]cc1S(=O)(=O)NCc1ccon1
InChIInChI=1S/C9H9N3O4S/c13-8-1-3-10-6-9(8)17(14,15)11-5-7-2-4-16-12-7/h1-4,6,11H,5H2,(H,10,13)
InChIKeyHCJLTLBCXFPBEA-UHFFFAOYSA-N
XLogP-0.16
TPSA105.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-oxo-1H-pyridine-3-sulfonamide
CID 106405985
2-methyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 79477364
5-bromo-2-methyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 79477683
2-amino-4,5-dimethyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 81169956
4-bromo-2-chloro-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 79477882
2-amino-5-bromo-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 81171163
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-oxo-1H-pyridine-3-sulfonamide
CID 115991442
4-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 81176602
2-hydroxy-4-methyl-5-(1,2-oxazol-3-ylmethylsulfamoyl)benzoic acid
CID 81176901
2-amino-N-(1,2-oxazol-3-ylmethyl)pyrimidine-5-sulfonamide
CID 81176880
2-chloro-4-cyano-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 103989600
4-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridine-3-sulfonamide
CID 106293636

Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-3-ylmethyl)-4-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-(1,2-oxazol-3-ylmethyl)-4-oxo-1H-pyridine-3-sulfonamide (CID 81178508) is N-(1,2-oxazol-3-ylmethyl)-4-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-(1,2-oxazol-3-ylmethyl)-4-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-(1,2-oxazol-3-ylmethyl)-4-oxo-1H-pyridine-3-sulfonamide is O=c1cc[nH]cc1S(=O)(=O)NCc1ccon1.
What is the InChIKey of N-(1,2-oxazol-3-ylmethyl)-4-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is HCJLTLBCXFPBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O4S/c13-8-1-3-10-6-9(8)17(14,15)11-5-7-2-4-16-12-7/h1-4,6,11H,5H2,(H,10,13).
What are the key properties of N-(1,2-oxazol-3-ylmethyl)-4-oxo-1H-pyridine-3-sulfonamide?
N-(1,2-oxazol-3-ylmethyl)-4-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 255.25 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-3-ylmethyl)-4-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 81178508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).