4-acetyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide

C16H14N2O4S — CID 9240650

IUPAC4-acetyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2ccc3oc(C)nc3c2)cc1
InChIInChI=1S/C16H14N2O4S/c1-10(19)12-3-6-14(7-4-12)23(20,21)18-13-5-8-16-15(9-13)17-11(2)22-16/h3-9,18H,1-2H3
InChIKeyUQLLXXQLPOGTKQ-UHFFFAOYSA-N
MW330.37 g/mol
LogP3.14
Rot. Bonds4

About 4-acetyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide

4-acetyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide (PubChem CID 9240650) has the molecular formula C16H14N2O4S and a molecular weight of 330.37 g/mol. Its IUPAC name is 4-acetyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide
PubChem CID9240650
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC Name4-acetyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2ccc3oc(C)nc3c2)cc1
InChIInChI=1S/C16H14N2O4S/c1-10(19)12-3-6-14(7-4-12)23(20,21)18-13-5-8-16-15(9-13)17-11(2)22-16/h3-9,18H,1-2H3
InChIKeyUQLLXXQLPOGTKQ-UHFFFAOYSA-N
XLogP3.14
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 110729102
N-[3-[(2-methyl-1,3-benzoxazol-5-yl)sulfonylamino]phenyl]acetamide
CID 110760599
N-(2-methyl-1,3-benzoxazol-5-yl)-4-(propan-2-ylsulfamoyl)benzamide
CID 34303904
N-(3-chloro-4-methylphenyl)-2-methyl-1,3-benzoxazole-5-sulfonamide
CID 110760583
N-(2-methyl-1,3-benzoxazol-5-yl)-1H-pyrazole-4-sulfonamide
CID 54937098
N-[4-(dimethylamino)phenyl]-2-methyl-1,3-benzoxazole-5-sulfonamide
CID 110760604
methyl 4-[(2-methyl-1,3-benzoxazol-6-yl)sulfonylamino]benzoate
CID 110759890
N-[4-[(2-tert-butyl-1,3-benzoxazol-5-yl)sulfamoyl]phenyl]acetamide
CID 39343485
4-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 9240243
N-(2-methyl-1,3-benzoxazol-5-yl)-4-(prop-2-enylsulfamoyl)benzamide
CID 37040634
N-(1H-indazol-6-yl)-2-methyl-1,3-benzoxazole-5-sulfonamide
CID 110760607
3-[(2-methyl-1,3-benzoxazol-5-yl)sulfamoyl]propanoic acid
CID 43361826

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-acetyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide (CID 9240650) is 4-acetyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)Nc2ccc3oc(C)nc3c2)cc1.
What is the InChIKey of 4-acetyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide?
The InChIKey is UQLLXXQLPOGTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S/c1-10(19)12-3-6-14(7-4-12)23(20,21)18-13-5-8-16-15(9-13)17-11(2)22-16/h3-9,18H,1-2H3.
What are the key properties of 4-acetyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide?
4-acetyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide has a molecular weight of 330.37 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 9240650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).