3-acetyl-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzenesulfonamide

C16H14N2O4S — CID 86870294

IUPAC3-acetyl-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)NC3)c1
InChIInChI=1S/C16H14N2O4S/c1-10(19)11-3-2-4-14(7-11)23(21,22)18-13-6-5-12-9-17-16(20)15(12)8-13/h2-8,18H,9H2,1H3,(H,17,20)
InChIKeyGRQXCLTYKLXKQT-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.93
Rot. Bonds4

About 3-acetyl-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzenesulfonamide

3-acetyl-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzenesulfonamide (PubChem CID 86870294) has the molecular formula C16H14N2O4S and a molecular weight of 330.37 g/mol. Its IUPAC name is 3-acetyl-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzenesulfonamide
PubChem CID86870294
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC Name3-acetyl-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)NC3)c1
InChIInChI=1S/C16H14N2O4S/c1-10(19)11-3-2-4-14(7-11)23(21,22)18-13-6-5-12-9-17-16(20)15(12)8-13/h2-8,18H,9H2,1H3,(H,17,20)
InChIKeyGRQXCLTYKLXKQT-UHFFFAOYSA-N
XLogP1.93
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetyl-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 110729158
3-acetyl-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 26951365
3-acetyl-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62813585
3-acetyl-N-(4-amino-3-chlorophenyl)benzenesulfonamide
CID 43604435
3-acetyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 2486497
3-acetyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 26970291
N-[4-[(3-acetylphenyl)sulfonylamino]phenyl]-2-methylpropanamide
CID 26965624
3-acetyl-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
CID 103775761
4-[[3-[(3-acetylphenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 1355824
N-(4-acetylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 47946202
3-(2,3-dihydro-1H-inden-5-ylsulfamoyl)benzoate
CID 8001167
N-(2,3-dihydro-1H-inden-5-yl)-3-propanoylbenzenesulfonamide
CID 112838618

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzenesulfonamide?
The IUPAC name of 3-acetyl-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzenesulfonamide (CID 86870294) is 3-acetyl-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)NC3)c1.
What is the InChIKey of 3-acetyl-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzenesulfonamide?
The InChIKey is GRQXCLTYKLXKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S/c1-10(19)11-3-2-4-14(7-11)23(21,22)18-13-6-5-12-9-17-16(20)15(12)8-13/h2-8,18H,9H2,1H3,(H,17,20).
What are the key properties of 3-acetyl-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzenesulfonamide?
3-acetyl-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzenesulfonamide has a molecular weight of 330.37 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzenesulfonamide is sourced from PubChem (CID 86870294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).