N-(1,3-benzoxazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide

C15H11N3O5S — CID 110728965

IUPACN-(1,3-benzoxazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCn1c(=O)oc2cc(S(=O)(=O)Nc3ccc4ncoc4c3)ccc21
InChIInChI=1S/C15H11N3O5S/c1-18-12-5-3-10(7-14(12)23-15(18)19)24(20,21)17-9-2-4-11-13(6-9)22-8-16-11/h2-8,17H,1H3
InChIKeyZJZBKOPQGBHVGZ-UHFFFAOYSA-N
MW345.34 g/mol
LogP2.07
Rot. Bonds3

About N-(1,3-benzoxazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide

N-(1,3-benzoxazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide (PubChem CID 110728965) has the molecular formula C15H11N3O5S and a molecular weight of 345.34 g/mol. Its IUPAC name is N-(1,3-benzoxazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-(1,3-benzoxazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
PubChem CID110728965
Molecular FormulaC15H11N3O5S
Molecular Weight345.34 g/mol
Exact Mass345.04
IUPAC NameN-(1,3-benzoxazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCn1c(=O)oc2cc(S(=O)(=O)Nc3ccc4ncoc4c3)ccc21
InChIInChI=1S/C15H11N3O5S/c1-18-12-5-3-10(7-14(12)23-15(18)19)24(20,21)17-9-2-4-11-13(6-9)22-8-16-11/h2-8,17H,1H3
InChIKeyZJZBKOPQGBHVGZ-UHFFFAOYSA-N
XLogP2.07
TPSA107.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1,3-benzoxazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-dimethyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxobenzimidazole-5-sulfonamide
CID 20962052
N-(4-tert-butylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 30713117
3-methyl-N-(2-methyl-4-pyridinyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110756901
3,4-dimethoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 20962046
N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 46966763
N-(4-chloro-3-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 70124119
N-(3,5-dimethylphenyl)-1,3-benzoxazole-6-sulfonamide
CID 110759694
4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfamoyl]benzoic acid
CID 110779478
N-(1,2-benzothiazol-5-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 99831804
N-(1H-indol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110730877
N-[3-[(3-chlorophenyl)sulfamoyl]phenyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 30713122
3-methyl-2-oxo-N-(2-propylsulfonyl-1,3-benzothiazol-6-yl)-1,3-benzoxazole-6-sulfonamide
CID 50839648

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-(1,3-benzoxazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide (CID 110728965) is N-(1,3-benzoxazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-(1,3-benzoxazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-(1,3-benzoxazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide is Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc4ncoc4c3)ccc21.
What is the InChIKey of N-(1,3-benzoxazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The InChIKey is ZJZBKOPQGBHVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O5S/c1-18-12-5-3-10(7-14(12)23-15(18)19)24(20,21)17-9-2-4-11-13(6-9)22-8-16-11/h2-8,17H,1H3.
What are the key properties of N-(1,3-benzoxazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
N-(1,3-benzoxazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide has a molecular weight of 345.34 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 110728965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).