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

C21H28N2O2S — CID 26543166

IUPACN-[[2-(diethylaminomethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCCN(CC)Cc1ccccc1CNS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C21H28N2O2S/c1-3-23(4-2)16-20-9-6-5-8-19(20)15-22-26(24,25)21-13-12-17-10-7-11-18(17)14-21/h5-6,8-9,12-14,22H,3-4,7,10-11,15-16H2,1-2H3
InChIKeyUPOSDEGKUMSFKP-UHFFFAOYSA-N
MW372.53 g/mol
LogP3.50
Rot. Bonds8

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

N-[[2-(diethylaminomethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 26543166) has the molecular formula C21H28N2O2S and a molecular weight of 372.53 g/mol. Its IUPAC name is N-[[2-(diethylaminomethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-[[2-(diethylaminomethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID26543166
Molecular FormulaC21H28N2O2S
Molecular Weight372.53 g/mol
Exact Mass372.19
IUPAC NameN-[[2-(diethylaminomethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCCN(CC)Cc1ccccc1CNS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C21H28N2O2S/c1-3-23(4-2)16-20-9-6-5-8-19(20)15-22-26(24,25)21-13-12-17-10-7-11-18(17)14-21/h5-6,8-9,12-14,22H,3-4,7,10-11,15-16H2,1-2H3
InChIKeyUPOSDEGKUMSFKP-UHFFFAOYSA-N
XLogP3.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 26542362
N-[[4-(diethylaminomethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 26541394
N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 43212855
N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 34108495
N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 52598273
N-[2-[2-(diethylamino)ethoxy]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110604182
N-(2-phenylpropyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 43001353
N-[(1,2,5-trimethylpyrrol-3-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110642085
1-chloro-N-[[2-(diethylaminomethyl)phenyl]methyl]methanesulfonamide
CID 63665544
2-[[2-(diethylaminomethyl)phenyl]methylsulfamoyl]acetic acid
CID 43362203
N-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 39984880
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-2,3-dihydro-1H-indene-5-sulfonamide;hydrochloride
CID 120721758

Frequently Asked Questions

What is the IUPAC name of N-[[2-(diethylaminomethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-[[2-(diethylaminomethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide (CID 26543166) is N-[[2-(diethylaminomethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-[[2-(diethylaminomethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-[[2-(diethylaminomethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide is CCN(CC)Cc1ccccc1CNS(=O)(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[[2-(diethylaminomethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is UPOSDEGKUMSFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2S/c1-3-23(4-2)16-20-9-6-5-8-19(20)15-22-26(24,25)21-13-12-17-10-7-11-18(17)14-21/h5-6,8-9,12-14,22H,3-4,7,10-11,15-16H2,1-2H3.
What are the key properties of N-[[2-(diethylaminomethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide?
N-[[2-(diethylaminomethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 372.53 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(diethylaminomethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 26543166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).