N-(2-aminoethyl)-N-benzyl-2,3-dihydro-1H-indene-5-sulfonamide

C18H22N2O2S — CID 120584317

IUPACN-(2-aminoethyl)-N-benzyl-2,3-dihydro-1H-indene-5-sulfonamide
SMILESNCCN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H22N2O2S/c19-11-12-20(14-15-5-2-1-3-6-15)23(21,22)18-10-9-16-7-4-8-17(16)13-18/h1-3,5-6,9-10,13H,4,7-8,11-12,14,19H2
InChIKeyICMDOPODIVOGKT-UHFFFAOYSA-N
MW330.45 g/mol
LogP2.32
Rot. Bonds6

About N-(2-aminoethyl)-N-benzyl-2,3-dihydro-1H-indene-5-sulfonamide

N-(2-aminoethyl)-N-benzyl-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 120584317) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-benzyl-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-benzyl-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID120584317
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN-(2-aminoethyl)-N-benzyl-2,3-dihydro-1H-indene-5-sulfonamide
SMILESNCCN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H22N2O2S/c19-11-12-20(14-15-5-2-1-3-6-15)23(21,22)18-10-9-16-7-4-8-17(16)13-18/h1-3,5-6,9-10,13H,4,7-8,11-12,14,19H2
InChIKeyICMDOPODIVOGKT-UHFFFAOYSA-N
XLogP2.32
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-N-benzyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide;hydrochloride
CID 120584242
N-(2-aminoethyl)-N-methyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 61348924
N-(2-aminoethyl)-N-(2-phenylethyl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 120895832
N-(3-aminopropyl)-N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 43136904
N-(2-aminoethyl)-N-propan-2-yl-2,3-dihydro-1H-indene-5-sulfonamide
CID 61348755
N-(2-aminoethyl)-N-benzyl-4-methoxy-3-methylbenzenesulfonamide;hydrochloride
CID 120584192
N-ethyl-N-(2-hydroxyethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 54878655
N-(2-aminoethyl)-N-benzyl-3-chloro-4-(difluoromethoxy)benzenesulfonamide;hydrochloride
CID 120584247
N-[(3-cyanophenyl)methyl]-N-prop-2-enyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 60600410
N-(3-aminopropyl)-N-benzyl-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 120664430
N-benzyl-N-(2-chloroethyl)benzenesulfonamide
CID 14170856
N-[(4-fluorophenyl)methyl]-N-(2-piperazin-1-ylsulfonylethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 20971380

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-benzyl-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-benzyl-2,3-dihydro-1H-indene-5-sulfonamide (CID 120584317) is N-(2-aminoethyl)-N-benzyl-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-benzyl-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-benzyl-2,3-dihydro-1H-indene-5-sulfonamide is NCCN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N-(2-aminoethyl)-N-benzyl-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is ICMDOPODIVOGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c19-11-12-20(14-15-5-2-1-3-6-15)23(21,22)18-10-9-16-7-4-8-17(16)13-18/h1-3,5-6,9-10,13H,4,7-8,11-12,14,19H2.
What are the key properties of N-(2-aminoethyl)-N-benzyl-2,3-dihydro-1H-indene-5-sulfonamide?
N-(2-aminoethyl)-N-benzyl-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 330.45 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-benzyl-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 120584317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).