N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]naphthalene-2-sulfonamide

C21H21NO2S — CID 133188833

IUPACN-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]naphthalene-2-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc2ccccc2c1)c1ccc2c(c1)CCC2
InChIInChI=1S/C21H21NO2S/c1-15(18-10-9-17-7-4-8-19(17)13-18)22-25(23,24)21-12-11-16-5-2-3-6-20(16)14-21/h2-3,5-6,9-15,22H,4,7-8H2,1H3
InChIKeyQHYQVZJUBTUYOU-UHFFFAOYSA-N
MW351.47 g/mol
LogP4.37
Rot. Bonds4

About N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]naphthalene-2-sulfonamide

N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]naphthalene-2-sulfonamide (PubChem CID 133188833) has the molecular formula C21H21NO2S and a molecular weight of 351.47 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]naphthalene-2-sulfonamide
PubChem CID133188833
Molecular FormulaC21H21NO2S
Molecular Weight351.47 g/mol
Exact Mass351.13
IUPAC NameN-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]naphthalene-2-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc2ccccc2c1)c1ccc2c(c1)CCC2
InChIInChI=1S/C21H21NO2S/c1-15(18-10-9-17-7-4-8-19(17)13-18)22-25(23,24)21-12-11-16-5-2-3-6-20(16)14-21/h2-3,5-6,9-15,22H,4,7-8H2,1H3
InChIKeyQHYQVZJUBTUYOU-UHFFFAOYSA-N
XLogP4.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzenesulfonamide
CID 127131113
N-(1-phenylethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 42913053
N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 94501246
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methoxy-3-propan-2-ylbenzenesulfonamide
CID 133189130
N-[4-[[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]sulfamoyl]phenyl]acetamide
CID 94501255
3-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methoxybenzenesulfonamide
CID 133188828
4-methoxy-3-propan-2-yl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzenesulfonamide
CID 133190837
N-[1-(4-ethylphenyl)ethyl]naphthalene-2-sulfonamide
CID 22200980
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-oxo-3-propan-2-yl-1,3-benzothiazole-6-sulfonamide
CID 133186085
2-nitro-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzenesulfonamide
CID 28533880
N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-phenylmethanesulfonamide
CID 94501220
N-(1-naphthalen-2-ylethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 3856881

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]naphthalene-2-sulfonamide (CID 133188833) is N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]naphthalene-2-sulfonamide is CC(NS(=O)(=O)c1ccc2ccccc2c1)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]naphthalene-2-sulfonamide?
The InChIKey is QHYQVZJUBTUYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2S/c1-15(18-10-9-17-7-4-8-19(17)13-18)22-25(23,24)21-12-11-16-5-2-3-6-20(16)14-21/h2-3,5-6,9-15,22H,4,7-8H2,1H3.
What are the key properties of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]naphthalene-2-sulfonamide?
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]naphthalene-2-sulfonamide has a molecular weight of 351.47 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 133188833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).