N-[(2S)-5-(phenoxymethyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide

C19H23NO3S — CID 141275724

IUPACN-[(2S)-5-(phenoxymethyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N[C@H]1Cc2ccc(COc3ccccc3)cc2C1
InChIInChI=1S/C19H23NO3S/c1-14(2)24(21,22)20-18-11-16-9-8-15(10-17(16)12-18)13-23-19-6-4-3-5-7-19/h3-10,14,18,20H,11-13H2,1-2H3/t18-/m0/s1
InChIKeyMDBFMNJTTHVPAX-SFHVURJKSA-N
MW345.46 g/mol
LogP3.06
Rot. Bonds6

About N-[(2S)-5-(phenoxymethyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide

N-[(2S)-5-(phenoxymethyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide (PubChem CID 141275724) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is N-[(2S)-5-(phenoxymethyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-5-(phenoxymethyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
PubChem CID141275724
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC NameN-[(2S)-5-(phenoxymethyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N[C@H]1Cc2ccc(COc3ccccc3)cc2C1
InChIInChI=1S/C19H23NO3S/c1-14(2)24(21,22)20-18-11-16-9-8-15(10-17(16)12-18)13-23-19-6-4-3-5-7-19/h3-10,14,18,20H,11-13H2,1-2H3/t18-/m0/s1
InChIKeyMDBFMNJTTHVPAX-SFHVURJKSA-N
XLogP3.06
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[(2-chloro-3-pyridinyl)oxymethyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
CID 88851219
N-[(2S)-5-(pyridin-4-ylmethoxy)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide;hydrochloride
CID 131729713
N-[5-[(2-chlorophenoxy)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide
CID 70223409
2-[[2-[(2-propan-2-ylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid
CID 25024474
3-ethyl-1-[[(2S)-2-(propan-2-ylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 67088083
N-[[(2S)-5-[(2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-2-yl]methyl]propane-2-sulfonamide
CID 163973001
3-methyl-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 62375582
3-chloro-N-(2,3-dihydro-1H-inden-2-yl)-2-methylpropane-1-sulfonamide
CID 107854554
sodium 2-[[2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]oxy]acetate
CID 23685647
N-methyl-2-[4-(phenoxymethyl)phenyl]propan-1-amine
CID 105350614
phenoxymethylbenzene;sulfuric acid
CID 68982967
1-(benzenesulfonyl)-4-(phenoxymethyl)benzene
CID 925876

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-5-(phenoxymethyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
The IUPAC name of N-[(2S)-5-(phenoxymethyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide (CID 141275724) is N-[(2S)-5-(phenoxymethyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide.
What is the SMILES notation for N-[(2S)-5-(phenoxymethyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
The canonical SMILES for N-[(2S)-5-(phenoxymethyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide is CC(C)S(=O)(=O)N[C@H]1Cc2ccc(COc3ccccc3)cc2C1.
What is the InChIKey of N-[(2S)-5-(phenoxymethyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
The InChIKey is MDBFMNJTTHVPAX-SFHVURJKSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-14(2)24(21,22)20-18-11-16-9-8-15(10-17(16)12-18)13-23-19-6-4-3-5-7-19/h3-10,14,18,20H,11-13H2,1-2H3/t18-/m0/s1.
What are the key properties of N-[(2S)-5-(phenoxymethyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
N-[(2S)-5-(phenoxymethyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide has a molecular weight of 345.46 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-5-(phenoxymethyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide is sourced from PubChem (CID 141275724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).