4-acetyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide

C16H14N2O5S — CID 110786834

IUPAC4-acetyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCc2ccc3oc(=O)[nH]c3c2)cc1
InChIInChI=1S/C16H14N2O5S/c1-10(19)12-3-5-13(6-4-12)24(21,22)17-9-11-2-7-15-14(8-11)18-16(20)23-15/h2-8,17H,9H2,1H3,(H,18,20)
InChIKeyYAULTMOUJQBBCG-UHFFFAOYSA-N
MW346.36 g/mol
LogP1.80
Rot. Bonds5

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

4-acetyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide (PubChem CID 110786834) has the molecular formula C16H14N2O5S and a molecular weight of 346.36 g/mol. Its IUPAC name is 4-acetyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide
PubChem CID110786834
Molecular FormulaC16H14N2O5S
Molecular Weight346.36 g/mol
Exact Mass346.06
IUPAC Name4-acetyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCc2ccc3oc(=O)[nH]c3c2)cc1
InChIInChI=1S/C16H14N2O5S/c1-10(19)12-3-5-13(6-4-12)24(21,22)17-9-11-2-7-15-14(8-11)18-16(20)23-15/h2-8,17H,9H2,1H3,(H,18,20)
InChIKeyYAULTMOUJQBBCG-UHFFFAOYSA-N
XLogP1.80
TPSA109.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide
CID 110786829
3-oxo-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]butanamide
CID 115176424
5-chloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]thiophene-2-sulfonamide
CID 110786815
2-oxo-N-[(4-sulfamoylphenyl)methyl]-3H-1,3-benzoxazole-5-carboxamide
CID 110766627
4-acetyl-N-[(3,5-dichlorophenyl)methyl]benzenesulfonamide
CID 5013211
5-(hydrazinylmethyl)-3H-1,3-benzoxazol-2-one
CID 116932358
2-[3-[[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]methyl]phenyl]acetic acid
CID 167864480
N-butyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760630
2-oxo-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110665410
N-[(1,2-dimethylindol-5-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110427909
N-[(5-benzoylthiophen-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 90613246
2-ethyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]butanamide
CID 110786713

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide (CID 110786834) is 4-acetyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)NCc2ccc3oc(=O)[nH]c3c2)cc1.
What is the InChIKey of 4-acetyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is YAULTMOUJQBBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O5S/c1-10(19)12-3-5-13(6-4-12)24(21,22)17-9-11-2-7-15-14(8-11)18-16(20)23-15/h2-8,17H,9H2,1H3,(H,18,20).
What are the key properties of 4-acetyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide?
4-acetyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide has a molecular weight of 346.36 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110786834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).