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

C19H21NO5S — CID 110399780

IUPAC3-acetyl-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide
SMILESCOc1cc2c(cc1OC)C(NS(=O)(=O)c1cccc(C(C)=O)c1)CC2
InChIInChI=1S/C19H21NO5S/c1-12(21)13-5-4-6-15(9-13)26(22,23)20-17-8-7-14-10-18(24-2)19(25-3)11-16(14)17/h4-6,9-11,17,20H,7-8H2,1-3H3
InChIKeyRBEZCZFMALEXEM-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.87
Rot. Bonds6

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

3-acetyl-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide (PubChem CID 110399780) has the molecular formula C19H21NO5S and a molecular weight of 375.45 g/mol. Its IUPAC name is 3-acetyl-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide
PubChem CID110399780
Molecular FormulaC19H21NO5S
Molecular Weight375.45 g/mol
Exact Mass375.11
IUPAC Name3-acetyl-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide
SMILESCOc1cc2c(cc1OC)C(NS(=O)(=O)c1cccc(C(C)=O)c1)CC2
InChIInChI=1S/C19H21NO5S/c1-12(21)13-5-4-6-15(9-13)26(22,23)20-17-8-7-14-10-18(24-2)19(25-3)11-16(14)17/h4-6,9-11,17,20H,7-8H2,1-3H3
InChIKeyRBEZCZFMALEXEM-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

4-acetyl-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide
CID 110399781
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-[(3,4-dimethoxyphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide
CID 54530988
N-[3-[(5-methyl-2,3-dihydro-1H-inden-1-yl)sulfamoyl]phenyl]acetamide
CID 167954905
methyl 3-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)benzoate
CID 133235599
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)propane-1-sulfonamide
CID 110399728
3-acetyl-N-(3-methoxycyclopentyl)benzenesulfonamide
CID 103082265
3-acetyl-N-(2,3-dimethylcyclohexyl)benzenesulfonamide
CID 43081984
3-acetyl-N-(2,2-dimethylcyclopropyl)benzenesulfonamide
CID 61234303
3-acetyl-N-(3,4-dimethylcyclohexyl)benzenesulfonamide
CID 64741564
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-methylbenzamide
CID 110399665

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide?
The IUPAC name of 3-acetyl-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide (CID 110399780) is 3-acetyl-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide is COc1cc2c(cc1OC)C(NS(=O)(=O)c1cccc(C(C)=O)c1)CC2.
What is the InChIKey of 3-acetyl-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide?
The InChIKey is RBEZCZFMALEXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5S/c1-12(21)13-5-4-6-15(9-13)26(22,23)20-17-8-7-14-10-18(24-2)19(25-3)11-16(14)17/h4-6,9-11,17,20H,7-8H2,1-3H3.
What are the key properties of 3-acetyl-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide?
3-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 3-acetyl-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide is sourced from PubChem (CID 110399780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).