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

C18H21NO2S — CID 43001353

IUPACN-(2-phenylpropyl)-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCC(CNS(=O)(=O)c1ccc2c(c1)CCC2)c1ccccc1
InChIInChI=1S/C18H21NO2S/c1-14(15-6-3-2-4-7-15)13-19-22(20,21)18-11-10-16-8-5-9-17(16)12-18/h2-4,6-7,10-12,14,19H,5,8-9,13H2,1H3
InChIKeyYEMFGWFTIYWFIZ-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.26
Rot. Bonds5

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

N-(2-phenylpropyl)-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 43001353) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-(2-phenylpropyl)-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-(2-phenylpropyl)-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID43001353
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC NameN-(2-phenylpropyl)-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCC(CNS(=O)(=O)c1ccc2c(c1)CCC2)c1ccccc1
InChIInChI=1S/C18H21NO2S/c1-14(15-6-3-2-4-7-15)13-19-22(20,21)18-11-10-16-8-5-9-17(16)12-18/h2-4,6-7,10-12,14,19H,5,8-9,13H2,1H3
InChIKeyYEMFGWFTIYWFIZ-UHFFFAOYSA-N
XLogP3.26
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminopropyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 55230484
2-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoic acid
CID 62676412
N-(1-phenylethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 42913053
N-(2-bromo-4-methylpentyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 107158218
N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 43212855
N-(2-chloro-3-methoxypropyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 65031254
3-(benzenesulfonyl)-N-[(2S)-2-phenylpropyl]benzenesulfonamide
CID 11978755
N-[(2S)-2-phenyl-2-thiophen-2-ylsulfonylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 51662774
N-[(2S)-2-morpholin-4-ylpropyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 51873210
3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-2-hydroxypropanamide
CID 107258346
methyl 2-bromo-3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)propanoate
CID 103493750
methyl 2-chloro-3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)propanoate
CID 103493556

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylpropyl)-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-(2-phenylpropyl)-2,3-dihydro-1H-indene-5-sulfonamide (CID 43001353) is N-(2-phenylpropyl)-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-(2-phenylpropyl)-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-(2-phenylpropyl)-2,3-dihydro-1H-indene-5-sulfonamide is CC(CNS(=O)(=O)c1ccc2c(c1)CCC2)c1ccccc1.
What is the InChIKey of N-(2-phenylpropyl)-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is YEMFGWFTIYWFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-14(15-6-3-2-4-7-15)13-19-22(20,21)18-11-10-16-8-5-9-17(16)12-18/h2-4,6-7,10-12,14,19H,5,8-9,13H2,1H3.
What are the key properties of N-(2-phenylpropyl)-2,3-dihydro-1H-indene-5-sulfonamide?
N-(2-phenylpropyl)-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 315.44 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylpropyl)-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 43001353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).