N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-ethylbenzenesulfonamide

C19H23NO3S — CID 113101493

IUPACN-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCOc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C19H23NO3S/c1-2-15-6-10-19(11-7-15)24(21,22)20-12-13-23-18-9-8-16-4-3-5-17(16)14-18/h6-11,14,20H,2-5,12-13H2,1H3
InChIKeyGCSRRCSUAOHNND-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.10
Rot. Bonds7

About N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-ethylbenzenesulfonamide

N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-ethylbenzenesulfonamide (PubChem CID 113101493) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-ethylbenzenesulfonamide
PubChem CID113101493
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC NameN-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCOc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C19H23NO3S/c1-2-15-6-10-19(11-7-15)24(21,22)20-12-13-23-18-9-8-16-4-3-5-17(16)14-18/h6-11,14,20H,2-5,12-13H2,1H3
InChIKeyGCSRRCSUAOHNND-UHFFFAOYSA-N
XLogP3.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydro-1H-inden-5-yl 3-[(4-ethylphenyl)sulfonylamino]propanoate
CID 67677254
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-4-ethylbenzenesulfonamide
CID 30366365
2,5-dimethyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]benzenesulfonamide
CID 113101603
N-(3-butoxypropyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 32937376
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-methylthiophene-2-sulfonamide
CID 113101511
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 55953414
2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylethanamine
CID 14809522
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1,1,1-trifluoromethanesulfonamide
CID 176697938
N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 52598273
N-[2-(3-ethylphenoxy)ethyl]-4-methylbenzenesulfonamide
CID 113100033
3,5-dimethyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]-1H-pyrazole-4-sulfonamide
CID 113101627
5-chloro-2-methoxy-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]benzenesulfonamide
CID 113101631

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-ethylbenzenesulfonamide?
The IUPAC name of N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-ethylbenzenesulfonamide (CID 113101493) is N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-ethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-ethylbenzenesulfonamide?
The canonical SMILES for N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-ethylbenzenesulfonamide is CCc1ccc(S(=O)(=O)NCCOc2ccc3c(c2)CCC3)cc1.
What is the InChIKey of N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-ethylbenzenesulfonamide?
The InChIKey is GCSRRCSUAOHNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-2-15-6-10-19(11-7-15)24(21,22)20-12-13-23-18-9-8-16-4-3-5-17(16)14-18/h6-11,14,20H,2-5,12-13H2,1H3.
What are the key properties of N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-ethylbenzenesulfonamide?
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-ethylbenzenesulfonamide has a molecular weight of 345.46 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-ethylbenzenesulfonamide is sourced from PubChem (CID 113101493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).