2-(4-fluorophenyl)-2-methoxy-N-[(1R,2S)-1-methoxy-2,3-dihydro-1H-inden-2-yl]ethanesulfonamide

C19H22FNO4S — CID 164629406

IUPAC2-(4-fluorophenyl)-2-methoxy-N-[(1R,2S)-1-methoxy-2,3-dihydro-1H-inden-2-yl]ethanesulfonamide
SMILESCOC(CS(=O)(=O)N[C@H]1Cc2ccccc2[C@H]1OC)c1ccc(F)cc1
InChIInChI=1S/C19H22FNO4S/c1-24-18(13-7-9-15(20)10-8-13)12-26(22,23)21-17-11-14-5-3-4-6-16(14)19(17)25-2/h3-10,17-19,21H,11-12H2,1-2H3/t17-,18?,19+/m0/s1
InChIKeyDTVNTLXRXHLASF-LJJQOFDWSA-N
MW379.45 g/mol
LogP2.74
Rot. Bonds7

About 2-(4-fluorophenyl)-2-methoxy-N-[(1R,2S)-1-methoxy-2,3-dihydro-1H-inden-2-yl]ethanesulfonamide

2-(4-fluorophenyl)-2-methoxy-N-[(1R,2S)-1-methoxy-2,3-dihydro-1H-inden-2-yl]ethanesulfonamide (PubChem CID 164629406) has the molecular formula C19H22FNO4S and a molecular weight of 379.45 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-methoxy-N-[(1R,2S)-1-methoxy-2,3-dihydro-1H-inden-2-yl]ethanesulfonamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-methoxy-N-[(1R,2S)-1-methoxy-2,3-dihydro-1H-inden-2-yl]ethanesulfonamide
PubChem CID164629406
Molecular FormulaC19H22FNO4S
Molecular Weight379.45 g/mol
Exact Mass379.13
IUPAC Name2-(4-fluorophenyl)-2-methoxy-N-[(1R,2S)-1-methoxy-2,3-dihydro-1H-inden-2-yl]ethanesulfonamide
SMILESCOC(CS(=O)(=O)N[C@H]1Cc2ccccc2[C@H]1OC)c1ccc(F)cc1
InChIInChI=1S/C19H22FNO4S/c1-24-18(13-7-9-15(20)10-8-13)12-26(22,23)21-17-11-14-5-3-4-6-16(14)19(17)25-2/h3-10,17-19,21H,11-12H2,1-2H3/t17-,18?,19+/m0/s1
InChIKeyDTVNTLXRXHLASF-LJJQOFDWSA-N
XLogP2.74
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-methoxy-N-[(1R,2S)-1-methoxy-2,3-dihydro-1H-inden-2-yl]ethanesulfonamide?
The IUPAC name of 2-(4-fluorophenyl)-2-methoxy-N-[(1R,2S)-1-methoxy-2,3-dihydro-1H-inden-2-yl]ethanesulfonamide (CID 164629406) is 2-(4-fluorophenyl)-2-methoxy-N-[(1R,2S)-1-methoxy-2,3-dihydro-1H-inden-2-yl]ethanesulfonamide.
What is the SMILES notation for 2-(4-fluorophenyl)-2-methoxy-N-[(1R,2S)-1-methoxy-2,3-dihydro-1H-inden-2-yl]ethanesulfonamide?
The canonical SMILES for 2-(4-fluorophenyl)-2-methoxy-N-[(1R,2S)-1-methoxy-2,3-dihydro-1H-inden-2-yl]ethanesulfonamide is COC(CS(=O)(=O)N[C@H]1Cc2ccccc2[C@H]1OC)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-2-methoxy-N-[(1R,2S)-1-methoxy-2,3-dihydro-1H-inden-2-yl]ethanesulfonamide?
The InChIKey is DTVNTLXRXHLASF-LJJQOFDWSA-N. The full InChI is InChI=1S/C19H22FNO4S/c1-24-18(13-7-9-15(20)10-8-13)12-26(22,23)21-17-11-14-5-3-4-6-16(14)19(17)25-2/h3-10,17-19,21H,11-12H2,1-2H3/t17-,18?,19+/m0/s1.
What are the key properties of 2-(4-fluorophenyl)-2-methoxy-N-[(1R,2S)-1-methoxy-2,3-dihydro-1H-inden-2-yl]ethanesulfonamide?
2-(4-fluorophenyl)-2-methoxy-N-[(1R,2S)-1-methoxy-2,3-dihydro-1H-inden-2-yl]ethanesulfonamide has a molecular weight of 379.45 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-methoxy-N-[(1R,2S)-1-methoxy-2,3-dihydro-1H-inden-2-yl]ethanesulfonamide is sourced from PubChem (CID 164629406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).