2-chloro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-5-sulfonamide

C11H8ClN3O4S2 — CID 61251329

IUPAC2-chloro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-5-sulfonamide
SMILESO=C1COc2ccc(NS(=O)(=O)c3cnc(Cl)s3)cc2N1
InChIInChI=1S/C11H8ClN3O4S2/c12-11-13-4-10(20-11)21(17,18)15-6-1-2-8-7(3-6)14-9(16)5-19-8/h1-4,15H,5H2,(H,14,16)
InChIKeyUEMAHQGTOFNEBC-UHFFFAOYSA-N
MW345.79 g/mol
LogP1.93
Rot. Bonds3

About 2-chloro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-5-sulfonamide

2-chloro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-5-sulfonamide (PubChem CID 61251329) has the molecular formula C11H8ClN3O4S2 and a molecular weight of 345.79 g/mol. Its IUPAC name is 2-chloro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-5-sulfonamide
PubChem CID61251329
Molecular FormulaC11H8ClN3O4S2
Molecular Weight345.79 g/mol
Exact Mass344.96
IUPAC Name2-chloro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-5-sulfonamide
SMILESO=C1COc2ccc(NS(=O)(=O)c3cnc(Cl)s3)cc2N1
InChIInChI=1S/C11H8ClN3O4S2/c12-11-13-4-10(20-11)21(17,18)15-6-1-2-8-7(3-6)14-9(16)5-19-8/h1-4,15H,5H2,(H,14,16)
InChIKeyUEMAHQGTOFNEBC-UHFFFAOYSA-N
XLogP1.93
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dichlorophenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 31699666
4-bromo-2-chloro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide
CID 32968530
3-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)-4H-1,4-benzoxazine-6-sulfonamide
CID 46962935
N-(3-oxo-4H-1,4-benzoxazin-6-yl)butane-1-sulfonamide
CID 110778091
1-(4-fluorophenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)methanesulfonamide
CID 110778103
4-methyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)benzenesulfonamide
CID 110504134
3-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-4H-1,4-benzoxazine-6-sulfonamide
CID 31703497
2-chloro-N-(3-sulfamoylphenyl)-1,3-thiazole-5-sulfonamide
CID 43427451
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-4-carboxamide
CID 55133554
6-[(3,5-dichlorophenyl)methylamino]-4H-1,4-benzoxazin-3-one
CID 60789039
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 4-[(5-bromothiophen-2-yl)sulfonylamino]benzoate
CID 25046716
N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-2-carboxamide
CID 51153474

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-5-sulfonamide (CID 61251329) is 2-chloro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-5-sulfonamide is O=C1COc2ccc(NS(=O)(=O)c3cnc(Cl)s3)cc2N1.
What is the InChIKey of 2-chloro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-5-sulfonamide?
The InChIKey is UEMAHQGTOFNEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O4S2/c12-11-13-4-10(20-11)21(17,18)15-6-1-2-8-7(3-6)14-9(16)5-19-8/h1-4,15H,5H2,(H,14,16).
What are the key properties of 2-chloro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-5-sulfonamide?
2-chloro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-5-sulfonamide has a molecular weight of 345.79 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61251329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).