2-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridine-4-sulfonamide

C12H8ClN3O4S — CID 61051650

IUPAC2-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridine-4-sulfonamide
SMILESO=c1[nH]c2cc(NS(=O)(=O)c3ccnc(Cl)c3)ccc2o1
InChIInChI=1S/C12H8ClN3O4S/c13-11-6-8(3-4-14-11)21(18,19)16-7-1-2-10-9(5-7)15-12(17)20-10/h1-6,16H,(H,15,17)
InChIKeyBXEGSONPJJCYEE-UHFFFAOYSA-N
MW325.73 g/mol
LogP1.97
Rot. Bonds3

About 2-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridine-4-sulfonamide

2-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridine-4-sulfonamide (PubChem CID 61051650) has the molecular formula C12H8ClN3O4S and a molecular weight of 325.73 g/mol. Its IUPAC name is 2-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridine-4-sulfonamide
PubChem CID61051650
Molecular FormulaC12H8ClN3O4S
Molecular Weight325.73 g/mol
Exact Mass324.99
IUPAC Name2-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridine-4-sulfonamide
SMILESO=c1[nH]c2cc(NS(=O)(=O)c3ccnc(Cl)c3)ccc2o1
InChIInChI=1S/C12H8ClN3O4S/c13-11-6-8(3-4-14-11)21(18,19)16-7-1-2-10-9(5-7)15-12(17)20-10/h1-6,16H,(H,15,17)
InChIKeyBXEGSONPJJCYEE-UHFFFAOYSA-N
XLogP1.97
TPSA105.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.73
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylpyrimidin-2-yl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 146024943
3-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propane-1-sulfonamide
CID 54877723
N-(1,3-benzodioxol-5-yl)-2-chloropyridine-4-sulfonamide
CID 61003220
N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 122316514
2-chloro-N-(4-ethoxyphenyl)pyridine-4-sulfonamide
CID 61003549
2-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-sulfonamide
CID 82795250
2-chloro-N-(3-chloro-4-ethoxyphenyl)pyridine-4-sulfonamide
CID 61041107
2-oxo-N-(3-pyridin-2-yloxyphenyl)-3H-1,3-benzoxazole-5-sulfonamide
CID 146024988
2-chloro-N-(3-methylphenyl)pyridine-4-sulfonamide
CID 54895572
2-oxo-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-3H-1,3-benzoxazole-5-sulfonamide
CID 122316108
2-chloro-N-(3,5-dichloro-4-fluorophenyl)pyridine-4-sulfonamide
CID 107573404
5-(ethylsulfamoylamino)-3H-1,3-benzoxazol-2-one
CID 110607935

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridine-4-sulfonamide?
The IUPAC name of 2-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridine-4-sulfonamide (CID 61051650) is 2-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridine-4-sulfonamide.
What is the SMILES notation for 2-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridine-4-sulfonamide?
The canonical SMILES for 2-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridine-4-sulfonamide is O=c1[nH]c2cc(NS(=O)(=O)c3ccnc(Cl)c3)ccc2o1.
What is the InChIKey of 2-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridine-4-sulfonamide?
The InChIKey is BXEGSONPJJCYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O4S/c13-11-6-8(3-4-14-11)21(18,19)16-7-1-2-10-9(5-7)15-12(17)20-10/h1-6,16H,(H,15,17).
What are the key properties of 2-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridine-4-sulfonamide?
2-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridine-4-sulfonamide has a molecular weight of 325.73 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridine-4-sulfonamide is sourced from PubChem (CID 61051650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).