N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)propane-1-sulfonamide

C14H21NO4S — CID 110399728

IUPACN-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCc2cc(OC)c(OC)cc21
InChIInChI=1S/C14H21NO4S/c1-4-7-20(16,17)15-12-6-5-10-8-13(18-2)14(19-3)9-11(10)12/h8-9,12,15H,4-7H2,1-3H3
InChIKeyZHEJWOXVZSZPQL-UHFFFAOYSA-N
MW299.39 g/mol
LogP2.02
Rot. Bonds6

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

N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)propane-1-sulfonamide (PubChem CID 110399728) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)propane-1-sulfonamide
PubChem CID110399728
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC NameN-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCc2cc(OC)c(OC)cc21
InChIInChI=1S/C14H21NO4S/c1-4-7-20(16,17)15-12-6-5-10-8-13(18-2)14(19-3)9-11(10)12/h8-9,12,15H,4-7H2,1-3H3
InChIKeyZHEJWOXVZSZPQL-UHFFFAOYSA-N
XLogP2.02
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzenesulfonamide
CID 110399734
[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]hydrazine
CID 124633928
ethyl N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)carbamate
CID 110399711
4-acetyl-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide
CID 110399781
3-acetyl-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide
CID 110399780
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-methoxyethanesulfonamide
CID 95762243
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(4-fluorophenyl)acetamide
CID 110399683
6,7-dimethoxy-1-propan-2-yl-2-propylsulfonyl-3,4-dihydro-1H-isoquinoline
CID 110289343
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-methylbenzamide
CID 110399665
1-chloro-5,6-dimethoxy-2,3-dihydro-1H-indene
CID 82024117
tert-butyl 2-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)amino]acetate;oxalic acid
CID 13132300
N-(2,3-dihydro-1H-inden-1-yl)-3,4-dimethoxybenzenesulfonamide
CID 583390

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)propane-1-sulfonamide?
The IUPAC name of N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)propane-1-sulfonamide (CID 110399728) is N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)propane-1-sulfonamide.
What is the SMILES notation for N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)propane-1-sulfonamide?
The canonical SMILES for N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)propane-1-sulfonamide is CCCS(=O)(=O)NC1CCc2cc(OC)c(OC)cc21.
What is the InChIKey of N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)propane-1-sulfonamide?
The InChIKey is ZHEJWOXVZSZPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-4-7-20(16,17)15-12-6-5-10-8-13(18-2)14(19-3)9-11(10)12/h8-9,12,15H,4-7H2,1-3H3.
What are the key properties of N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)propane-1-sulfonamide?
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)propane-1-sulfonamide has a molecular weight of 299.39 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)propane-1-sulfonamide is sourced from PubChem (CID 110399728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).