N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide

C22H30N2O3S — CID 52598273

IUPACN-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCCN(CC)CCOc1ccc(CNS(=O)(=O)c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C22H30N2O3S/c1-3-24(4-2)14-15-27-21-11-8-18(9-12-21)17-23-28(25,26)22-13-10-19-6-5-7-20(19)16-22/h8-13,16,23H,3-7,14-15,17H2,1-2H3
InChIKeyPELOOSHQKLKCSW-UHFFFAOYSA-N
MW402.56 g/mol
LogP3.37
Rot. Bonds10

About N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide

N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 52598273) has the molecular formula C22H30N2O3S and a molecular weight of 402.56 g/mol. Its IUPAC name is N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID52598273
Molecular FormulaC22H30N2O3S
Molecular Weight402.56 g/mol
Exact Mass402.20
IUPAC NameN-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCCN(CC)CCOc1ccc(CNS(=O)(=O)c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C22H30N2O3S/c1-3-24(4-2)14-15-27-21-11-8-18(9-12-21)17-23-28(25,26)22-13-10-19-6-5-7-20(19)16-22/h8-13,16,23H,3-7,14-15,17H2,1-2H3
InChIKeyPELOOSHQKLKCSW-UHFFFAOYSA-N
XLogP3.37
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(diethylaminomethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 26541394
N-[2-[2-(diethylamino)ethoxy]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110604182
N,N-diethyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethanamine
CID 10490742
methyl 2-bromo-5-[[4-[2-(diethylamino)ethoxy]phenyl]methylsulfamoyl]benzoate
CID 55922068
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-ethylbenzenesulfonamide
CID 113101493
N-[[2-(diethylaminomethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 26543166
N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2,5-difluorobenzenesulfonamide
CID 55697946
N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 35764559
N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 43212855
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 26531885
N-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 39984880
N-(3-butoxypropyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 32937376

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide (CID 52598273) is N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide is CCN(CC)CCOc1ccc(CNS(=O)(=O)c2ccc3c(c2)CCC3)cc1.
What is the InChIKey of N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is PELOOSHQKLKCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3S/c1-3-24(4-2)14-15-27-21-11-8-18(9-12-21)17-23-28(25,26)22-13-10-19-6-5-7-20(19)16-22/h8-13,16,23H,3-7,14-15,17H2,1-2H3.
What are the key properties of N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide?
N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 402.56 g/mol, XLogP of 3.37, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 52598273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).