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

C18H21NO5S — CID 110399734

IUPACN-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCc3cc(OC)c(OC)cc32)cc1
InChIInChI=1S/C18H21NO5S/c1-22-13-5-7-14(8-6-13)25(20,21)19-16-9-4-12-10-17(23-2)18(24-3)11-15(12)16/h5-8,10-11,16,19H,4,9H2,1-3H3
InChIKeyCRWWPYTYCJGCEZ-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.68
Rot. Bonds6

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

N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzenesulfonamide (PubChem CID 110399734) has the molecular formula C18H21NO5S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzenesulfonamide
PubChem CID110399734
Molecular FormulaC18H21NO5S
Molecular Weight363.44 g/mol
Exact Mass363.11
IUPAC NameN-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCc3cc(OC)c(OC)cc32)cc1
InChIInChI=1S/C18H21NO5S/c1-22-13-5-7-14(8-6-13)25(20,21)19-16-9-4-12-10-17(23-2)18(24-3)11-15(12)16/h5-8,10-11,16,19H,4,9H2,1-3H3
InChIKeyCRWWPYTYCJGCEZ-UHFFFAOYSA-N
XLogP2.68
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzenesulfonamide (CID 110399734) is N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC2CCc3cc(OC)c(OC)cc32)cc1.
What is the InChIKey of N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzenesulfonamide?
The InChIKey is CRWWPYTYCJGCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5S/c1-22-13-5-7-14(8-6-13)25(20,21)19-16-9-4-12-10-17(23-2)18(24-3)11-15(12)16/h5-8,10-11,16,19H,4,9H2,1-3H3.
What are the key properties of N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzenesulfonamide?
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzenesulfonamide has a molecular weight of 363.44 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 110399734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).