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

C19H22FNO3S — CID 46935712

IUPACN-[(2S)-5-[(2-fluorophenoxy)methyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N[C@H]1Cc2ccc(COc3ccccc3F)cc2C1
InChIInChI=1S/C19H22FNO3S/c1-13(2)25(22,23)21-17-10-15-8-7-14(9-16(15)11-17)12-24-19-6-4-3-5-18(19)20/h3-9,13,17,21H,10-12H2,1-2H3/t17-/m0/s1
InChIKeyYLEYSBFFEUICDJ-KRWDZBQOSA-N
MW363.45 g/mol
LogP3.20
Rot. Bonds6

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

N-[(2S)-5-[(2-fluorophenoxy)methyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide (PubChem CID 46935712) has the molecular formula C19H22FNO3S and a molecular weight of 363.45 g/mol. Its IUPAC name is N-[(2S)-5-[(2-fluorophenoxy)methyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-5-[(2-fluorophenoxy)methyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
PubChem CID46935712
Molecular FormulaC19H22FNO3S
Molecular Weight363.45 g/mol
Exact Mass363.13
IUPAC NameN-[(2S)-5-[(2-fluorophenoxy)methyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N[C@H]1Cc2ccc(COc3ccccc3F)cc2C1
InChIInChI=1S/C19H22FNO3S/c1-13(2)25(22,23)21-17-10-15-8-7-14(9-16(15)11-17)12-24-19-6-4-3-5-18(19)20/h3-9,13,17,21H,10-12H2,1-2H3/t17-/m0/s1
InChIKeyYLEYSBFFEUICDJ-KRWDZBQOSA-N
XLogP3.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-5-[(2-fluorophenoxy)methyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
The IUPAC name of N-[(2S)-5-[(2-fluorophenoxy)methyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide (CID 46935712) is N-[(2S)-5-[(2-fluorophenoxy)methyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide.
What is the SMILES notation for N-[(2S)-5-[(2-fluorophenoxy)methyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
The canonical SMILES for N-[(2S)-5-[(2-fluorophenoxy)methyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide is CC(C)S(=O)(=O)N[C@H]1Cc2ccc(COc3ccccc3F)cc2C1.
What is the InChIKey of N-[(2S)-5-[(2-fluorophenoxy)methyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
The InChIKey is YLEYSBFFEUICDJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22FNO3S/c1-13(2)25(22,23)21-17-10-15-8-7-14(9-16(15)11-17)12-24-19-6-4-3-5-18(19)20/h3-9,13,17,21H,10-12H2,1-2H3/t17-/m0/s1.
What are the key properties of N-[(2S)-5-[(2-fluorophenoxy)methyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
N-[(2S)-5-[(2-fluorophenoxy)methyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide has a molecular weight of 363.45 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-5-[(2-fluorophenoxy)methyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide is sourced from PubChem (CID 46935712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).