4-acetyl-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide

C19H21NO5S — CID 110399781

IUPAC4-acetyl-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide
SMILESCOc1cc2c(cc1OC)C(NS(=O)(=O)c1ccc(C(C)=O)cc1)CC2
InChIInChI=1S/C19H21NO5S/c1-12(21)13-4-7-15(8-5-13)26(22,23)20-17-9-6-14-10-18(24-2)19(25-3)11-16(14)17/h4-5,7-8,10-11,17,20H,6,9H2,1-3H3
InChIKeyDPXZUFSHZGOPJN-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.87
Rot. Bonds6

About 4-acetyl-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide

4-acetyl-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide (PubChem CID 110399781) has the molecular formula C19H21NO5S and a molecular weight of 375.45 g/mol. Its IUPAC name is 4-acetyl-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide
PubChem CID110399781
Molecular FormulaC19H21NO5S
Molecular Weight375.45 g/mol
Exact Mass375.11
IUPAC Name4-acetyl-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide
SMILESCOc1cc2c(cc1OC)C(NS(=O)(=O)c1ccc(C(C)=O)cc1)CC2
InChIInChI=1S/C19H21NO5S/c1-12(21)13-4-7-15(8-5-13)26(22,23)20-17-9-6-14-10-18(24-2)19(25-3)11-16(14)17/h4-5,7-8,10-11,17,20H,6,9H2,1-3H3
InChIKeyDPXZUFSHZGOPJN-UHFFFAOYSA-N
XLogP2.87
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-acetyl-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide
CID 110399780
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzenesulfonamide
CID 110399734
N-(2,3-dihydro-1H-inden-1-yl)-3,4-dimethoxybenzenesulfonamide
CID 583390
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)propane-1-sulfonamide
CID 110399728
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-methylbenzamide
CID 110399665
4-methoxy-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide
CID 154859038
N-[5-[(3,4-dimethoxyphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide
CID 54530988
4-acetyl-N-(2-methoxy-4,5-dimethylphenyl)benzenesulfonamide
CID 110776856
[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]hydrazine
CID 124633928
N-[4-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]sulfamoyl]phenyl]acetamide
CID 95317507
4-acetyl-N-[(3S)-2-oxooxolan-3-yl]benzenesulfonamide
CID 29288988
N-(2,3-dihydro-1H-inden-1-yl)-2-fluoro-4,5-dimethoxybenzenesulfonamide
CID 55598185

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide?
The IUPAC name of 4-acetyl-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide (CID 110399781) is 4-acetyl-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide is COc1cc2c(cc1OC)C(NS(=O)(=O)c1ccc(C(C)=O)cc1)CC2.
What is the InChIKey of 4-acetyl-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide?
The InChIKey is DPXZUFSHZGOPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5S/c1-12(21)13-4-7-15(8-5-13)26(22,23)20-17-9-6-14-10-18(24-2)19(25-3)11-16(14)17/h4-5,7-8,10-11,17,20H,6,9H2,1-3H3.
What are the key properties of 4-acetyl-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide?
4-acetyl-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide has a molecular weight of 375.45 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide is sourced from PubChem (CID 110399781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).