N-(1H-indazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide

C15H12N4O4S — CID 110760854

IUPACN-(1H-indazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
SMILESCn1c(=O)oc2ccc(S(=O)(=O)Nc3ccc4cn[nH]c4c3)cc21
InChIInChI=1S/C15H12N4O4S/c1-19-13-7-11(4-5-14(13)23-15(19)20)24(21,22)18-10-3-2-9-8-16-17-12(9)6-10/h2-8,18H,1H3,(H,16,17)
InChIKeyFCZOYOQOSZZTBF-UHFFFAOYSA-N
MW344.35 g/mol
LogP1.81
Rot. Bonds3

About N-(1H-indazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide

N-(1H-indazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide (PubChem CID 110760854) has the molecular formula C15H12N4O4S and a molecular weight of 344.35 g/mol. Its IUPAC name is N-(1H-indazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide.

Molecular Properties

Compound NameN-(1H-indazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
PubChem CID110760854
Molecular FormulaC15H12N4O4S
Molecular Weight344.35 g/mol
Exact Mass344.06
IUPAC NameN-(1H-indazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
SMILESCn1c(=O)oc2ccc(S(=O)(=O)Nc3ccc4cn[nH]c4c3)cc21
InChIInChI=1S/C15H12N4O4S/c1-19-13-7-11(4-5-14(13)23-15(19)20)24(21,22)18-10-3-2-9-8-16-17-12(9)6-10/h2-8,18H,1H3,(H,16,17)
InChIKeyFCZOYOQOSZZTBF-UHFFFAOYSA-N
XLogP1.81
TPSA109.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1H-indazol-6-yl)-2-methyl-1,3-benzoxazole-5-sulfonamide
CID 110760607
N-(1H-indazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 110683355
N-(1H-indol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110730877
N-(2-ethoxypyrimidin-5-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 122302129
N-(1H-indazol-6-yl)-4-methoxy-3-propan-2-ylbenzenesulfonamide
CID 110757572
N,3-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 83542954
N-(1H-indazol-6-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 7530705
1,3-dimethyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxobenzimidazole-5-sulfonamide
CID 20962052
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 122356401
1-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-2-oxo-3H-indole-5-sulfonamide
CID 110601933
N-(1H-indazol-6-yl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 110758188
N-(1H-indazol-6-yl)-4-propoxybenzenesulfonamide
CID 110757658

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide?
The IUPAC name of N-(1H-indazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide (CID 110760854) is N-(1H-indazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide.
What is the SMILES notation for N-(1H-indazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide?
The canonical SMILES for N-(1H-indazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide is Cn1c(=O)oc2ccc(S(=O)(=O)Nc3ccc4cn[nH]c4c3)cc21.
What is the InChIKey of N-(1H-indazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide?
The InChIKey is FCZOYOQOSZZTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O4S/c1-19-13-7-11(4-5-14(13)23-15(19)20)24(21,22)18-10-3-2-9-8-16-17-12(9)6-10/h2-8,18H,1H3,(H,16,17).
What are the key properties of N-(1H-indazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide?
N-(1H-indazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide has a molecular weight of 344.35 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide is sourced from PubChem (CID 110760854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).