N-(2,3-dihydro-1H-inden-1-yl)-2-fluoro-4,5-dimethoxybenzenesulfonamide

C17H18FNO4S — CID 55598185

IUPACN-(2,3-dihydro-1H-inden-1-yl)-2-fluoro-4,5-dimethoxybenzenesulfonamide
SMILESCOc1cc(F)c(S(=O)(=O)NC2CCc3ccccc32)cc1OC
InChIInChI=1S/C17H18FNO4S/c1-22-15-9-13(18)17(10-16(15)23-2)24(20,21)19-14-8-7-11-5-3-4-6-12(11)14/h3-6,9-10,14,19H,7-8H2,1-2H3
InChIKeyGTGWERYRSTYKAS-UHFFFAOYSA-N
MW351.40 g/mol
LogP2.81
Rot. Bonds5

About N-(2,3-dihydro-1H-inden-1-yl)-2-fluoro-4,5-dimethoxybenzenesulfonamide

N-(2,3-dihydro-1H-inden-1-yl)-2-fluoro-4,5-dimethoxybenzenesulfonamide (PubChem CID 55598185) has the molecular formula C17H18FNO4S and a molecular weight of 351.40 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-2-fluoro-4,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-2-fluoro-4,5-dimethoxybenzenesulfonamide
PubChem CID55598185
Molecular FormulaC17H18FNO4S
Molecular Weight351.40 g/mol
Exact Mass351.09
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-2-fluoro-4,5-dimethoxybenzenesulfonamide
SMILESCOc1cc(F)c(S(=O)(=O)NC2CCc3ccccc32)cc1OC
InChIInChI=1S/C17H18FNO4S/c1-22-15-9-13(18)17(10-16(15)23-2)24(20,21)19-14-8-7-11-5-3-4-6-12(11)14/h3-6,9-10,14,19H,7-8H2,1-2H3
InChIKeyGTGWERYRSTYKAS-UHFFFAOYSA-N
XLogP2.81
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1H-inden-1-yl)-3,4-dimethoxybenzene-1-sulfonamide
CID 583390
3,4-Dimethoxy-N-phenethyl-benzenesulfonamide
CID 740562
N-(2-methylbenzyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 652131
N-(1-phenylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2890826
N-(4-fluorobenzyl)-3,4-dimethoxybenzenesulfonamide
CID 769005
N-[1-(2-methylphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 16231287
N-(2-cyanoethyl)-N-(2,3-dihydro-1H-inden-1-yl)-3,4-dimethoxybenzenesulfonamide
CID 2822853
N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3,4-dimethoxybenzenesulfonamide
CID 44322800
3,4-dimethoxy-N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide
CID 44322828
N-Benzyl-3,4-dimethoxybenzenesulfonamide
CID 571904
3,4-dimethoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 582683
3,4-dimethoxy-N-(4-methylbenzyl)benzenesulfonamide
CID 745116

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-2-fluoro-4,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-2-fluoro-4,5-dimethoxybenzenesulfonamide (CID 55598185) is N-(2,3-dihydro-1H-inden-1-yl)-2-fluoro-4,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-2-fluoro-4,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-2-fluoro-4,5-dimethoxybenzenesulfonamide is COc1cc(F)c(S(=O)(=O)NC2CCc3ccccc32)cc1OC.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-2-fluoro-4,5-dimethoxybenzenesulfonamide?
The InChIKey is GTGWERYRSTYKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO4S/c1-22-15-9-13(18)17(10-16(15)23-2)24(20,21)19-14-8-7-11-5-3-4-6-12(11)14/h3-6,9-10,14,19H,7-8H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-2-fluoro-4,5-dimethoxybenzenesulfonamide?
N-(2,3-dihydro-1H-inden-1-yl)-2-fluoro-4,5-dimethoxybenzenesulfonamide has a molecular weight of 351.40 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-2-fluoro-4,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 55598185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).