4-acetyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide

C16H14N2O4S — CID 110729102

IUPAC4-acetyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2ccc3nc(C)oc3c2)cc1
InChIInChI=1S/C16H14N2O4S/c1-10(19)12-3-6-14(7-4-12)23(20,21)18-13-5-8-15-16(9-13)22-11(2)17-15/h3-9,18H,1-2H3
InChIKeyPRMOAOOUKSNARS-UHFFFAOYSA-N
MW330.37 g/mol
LogP3.14
Rot. Bonds4

About 4-acetyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide

4-acetyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide (PubChem CID 110729102) 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-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide
PubChem CID110729102
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC Name4-acetyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2ccc3nc(C)oc3c2)cc1
InChIInChI=1S/C16H14N2O4S/c1-10(19)12-3-6-14(7-4-12)23(20,21)18-13-5-8-15-16(9-13)22-11(2)17-15/h3-9,18H,1-2H3
InChIKeyPRMOAOOUKSNARS-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-5-yl)benzenesulfonamide
CID 9240650
methyl 4-[(2-methyl-1,3-benzoxazol-6-yl)sulfonylamino]benzoate
CID 110759890
N-(2-methyl-1,3-benzoxazol-6-yl)-4-propylbenzenesulfonamide
CID 59018250
N-(2-methyl-1,3-benzoxazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110729058
1-(4-acetylphenyl)sulfonyl-N-(2-methyl-1,3-benzoxazol-6-yl)piperidine-2-carboxamide
CID 55571925
2,5-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 110729056
2,4-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 110729055
N-[3-[(2-methyl-1,3-benzoxazol-5-yl)sulfonylamino]phenyl]acetamide
CID 110760599
4-methoxy-2,6-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 110729090
N-(2-methyl-1,3-benzoxazol-6-yl)carbamoyl bromide
CID 115193310
4-acetyl-N-(2-methyl-1H-indol-5-yl)benzenesulfonamide
CID 38943742
5-ethyl-N-(2-methyl-1,3-benzoxazol-6-yl)thiophene-2-sulfonamide
CID 110729074

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide?
The IUPAC name of 4-acetyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide (CID 110729102) is 4-acetyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)Nc2ccc3nc(C)oc3c2)cc1.
What is the InChIKey of 4-acetyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide?
The InChIKey is PRMOAOOUKSNARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S/c1-10(19)12-3-6-14(7-4-12)23(20,21)18-13-5-8-15-16(9-13)22-11(2)17-15/h3-9,18H,1-2H3.
What are the key properties of 4-acetyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide?
4-acetyl-N-(2-methyl-1,3-benzoxazol-6-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-6-yl)benzenesulfonamide is sourced from PubChem (CID 110729102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).