N-(2,5-dimethylphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide

C15H14N2O4S — CID 974154

IUPACN-(2,5-dimethylphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1
InChIInChI=1S/C15H14N2O4S/c1-9-3-4-10(2)13(7-9)17-22(19,20)11-5-6-12-14(8-11)21-15(18)16-12/h3-8,17H,1-2H3,(H,16,18)
InChIKeyBNCGKTRZEQLJTC-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.54
Rot. Bonds3

About N-(2,5-dimethylphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide

N-(2,5-dimethylphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide (PubChem CID 974154) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
PubChem CID974154
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC NameN-(2,5-dimethylphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1
InChIInChI=1S/C15H14N2O4S/c1-9-3-4-10(2)13(7-9)17-22(19,20)11-5-6-12-14(8-11)21-15(18)16-12/h3-8,17H,1-2H3,(H,16,18)
InChIKeyBNCGKTRZEQLJTC-UHFFFAOYSA-N
XLogP2.54
TPSA92.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethylphenyl)-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]acetamide
CID 50919367
3-Methyl-2-oxo-N-phenyl-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
CID 564213
N-(2-Fluorophenyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
CID 611342
N-(4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 728803
2,3-Dihydro-2-oxobenzoxazole-6-sulphonamide
CID 89878
N-[4-(3-Methyl-2-oxo-2,3-dihydro-benzooxazole-6-sulfonylamino)-phenyl]-acetamide
CID 1093454
N,3-dimethyl-2-oxo-N-phenyl-1,3-benzoxazole-6-sulfonamide
CID 1093455
N-cyclohexyl-N-methyl-2-oxo-2,3-dihydrobenzo[d]oxazole-6-sulfonamide
CID 1828480
6-(2,3-Dihydroindol-1-ylsulfonyl)-3-methyl-1,3-benzoxazol-2-one
CID 1965778
6-(Piperidine-1-sulfonyl)-3H-benzooxazol-2-one
CID 921945
N-(3-ethylphenyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
CID 3245899
N-(3-fluoro-4-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 5308219

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide (CID 974154) is N-(2,5-dimethylphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide is Cc1ccc(C)c(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The InChIKey is BNCGKTRZEQLJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S/c1-9-3-4-10(2)13(7-9)17-22(19,20)11-5-6-12-14(8-11)21-15(18)16-12/h3-8,17H,1-2H3,(H,16,18).
What are the key properties of N-(2,5-dimethylphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
N-(2,5-dimethylphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide has a molecular weight of 318.35 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 974154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).