N'-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]pyridine-2-carbohydrazide

C14H12N4O5S — CID 16615764

IUPACN'-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]pyridine-2-carbohydrazide
SMILESO=C1COc2ccc(S(=O)(=O)NNC(=O)c3ccccn3)cc2N1
InChIInChI=1S/C14H12N4O5S/c19-13-8-23-12-5-4-9(7-11(12)16-13)24(21,22)18-17-14(20)10-3-1-2-6-15-10/h1-7,18H,8H2,(H,16,19)(H,17,20)
InChIKeyXBRKJFCCMTZLIC-UHFFFAOYSA-N
MW348.34 g/mol
LogP0.04
Rot. Bonds4

About N'-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]pyridine-2-carbohydrazide

N'-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]pyridine-2-carbohydrazide (PubChem CID 16615764) has the molecular formula C14H12N4O5S and a molecular weight of 348.34 g/mol. Its IUPAC name is N'-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]pyridine-2-carbohydrazide
PubChem CID16615764
Molecular FormulaC14H12N4O5S
Molecular Weight348.34 g/mol
Exact Mass348.05
IUPAC NameN'-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]pyridine-2-carbohydrazide
SMILESO=C1COc2ccc(S(=O)(=O)NNC(=O)c3ccccn3)cc2N1
InChIInChI=1S/C14H12N4O5S/c19-13-8-23-12-5-4-9(7-11(12)16-13)24(21,22)18-17-14(20)10-3-1-2-6-15-10/h1-7,18H,8H2,(H,16,19)(H,17,20)
InChIKeyXBRKJFCCMTZLIC-UHFFFAOYSA-N
XLogP0.04
TPSA126.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.34
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-2-carboxamide
CID 51153474
ethyl N-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]carbamate
CID 18270098
4-bromo-1-methyl-N'-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]pyrrole-2-carbohydrazide
CID 16615874
N-(3-oxo-4H-1,4-benzoxazin-7-yl)pyridine-2-carboxamide
CID 56587899
N'-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide
CID 16615867
3-methoxy-N'-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-4-propoxybenzohydrazide
CID 18281670
N-(6-chloro-8-methylquinolin-5-yl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 42959937
N-(3,4-dichlorophenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 31699666
N-ethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 15943400
3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]benzoic acid
CID 18230441
1-methyl-3-[4-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]phenyl]urea
CID 46518720
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-4-carboxamide
CID 55133554

Frequently Asked Questions

What is the IUPAC name of N'-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]pyridine-2-carbohydrazide?
The IUPAC name of N'-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]pyridine-2-carbohydrazide (CID 16615764) is N'-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]pyridine-2-carbohydrazide.
What is the SMILES notation for N'-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]pyridine-2-carbohydrazide?
The canonical SMILES for N'-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]pyridine-2-carbohydrazide is O=C1COc2ccc(S(=O)(=O)NNC(=O)c3ccccn3)cc2N1.
What is the InChIKey of N'-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]pyridine-2-carbohydrazide?
The InChIKey is XBRKJFCCMTZLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O5S/c19-13-8-23-12-5-4-9(7-11(12)16-13)24(21,22)18-17-14(20)10-3-1-2-6-15-10/h1-7,18H,8H2,(H,16,19)(H,17,20).
What are the key properties of N'-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]pyridine-2-carbohydrazide?
N'-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]pyridine-2-carbohydrazide has a molecular weight of 348.34 g/mol, XLogP of 0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]pyridine-2-carbohydrazide is sourced from PubChem (CID 16615764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).