N-[(1R,2S)-6-fluoro-2-hydroxy-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-1-yl]naphthalene-1-sulfonamide

C24H23F4NO4S — CID 58893238

IUPACN-[(1R,2S)-6-fluoro-2-hydroxy-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-1-yl]naphthalene-1-sulfonamide
SMILESCOc1c(F)ccc2c1C(C)(C)C[C@@](O)(C(F)(F)F)[C@@H]2NS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C24H23F4NO4S/c1-22(2)13-23(30,24(26,27)28)21(16-11-12-17(25)20(33-3)19(16)22)29-34(31,32)18-10-6-8-14-7-4-5-9-15(14)18/h4-12,21,29-30H,13H2,1-3H3/t21-,23+/m1/s1
InChIKeyMDGYACJZOWAKGR-GGAORHGYSA-N
MW497.51 g/mol
LogP4.98
Rot. Bonds4

About N-[(1R,2S)-6-fluoro-2-hydroxy-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-1-yl]naphthalene-1-sulfonamide

N-[(1R,2S)-6-fluoro-2-hydroxy-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-1-yl]naphthalene-1-sulfonamide (PubChem CID 58893238) has the molecular formula C24H23F4NO4S and a molecular weight of 497.51 g/mol. Its IUPAC name is N-[(1R,2S)-6-fluoro-2-hydroxy-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-1-yl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[(1R,2S)-6-fluoro-2-hydroxy-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-1-yl]naphthalene-1-sulfonamide
PubChem CID58893238
Molecular FormulaC24H23F4NO4S
Molecular Weight497.51 g/mol
Exact Mass497.13
IUPAC NameN-[(1R,2S)-6-fluoro-2-hydroxy-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-1-yl]naphthalene-1-sulfonamide
SMILESCOc1c(F)ccc2c1C(C)(C)C[C@@](O)(C(F)(F)F)[C@@H]2NS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C24H23F4NO4S/c1-22(2)13-23(30,24(26,27)28)21(16-11-12-17(25)20(33-3)19(16)22)29-34(31,32)18-10-6-8-14-7-4-5-9-15(14)18/h4-12,21,29-30H,13H2,1-3H3/t21-,23+/m1/s1
InChIKeyMDGYACJZOWAKGR-GGAORHGYSA-N
XLogP4.98
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.51
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-6-fluoro-2-hydroxy-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-1-yl]naphthalene-1-sulfonamide?
The IUPAC name of N-[(1R,2S)-6-fluoro-2-hydroxy-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-1-yl]naphthalene-1-sulfonamide (CID 58893238) is N-[(1R,2S)-6-fluoro-2-hydroxy-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-1-yl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[(1R,2S)-6-fluoro-2-hydroxy-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-1-yl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[(1R,2S)-6-fluoro-2-hydroxy-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-1-yl]naphthalene-1-sulfonamide is COc1c(F)ccc2c1C(C)(C)C[C@@](O)(C(F)(F)F)[C@@H]2NS(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-[(1R,2S)-6-fluoro-2-hydroxy-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-1-yl]naphthalene-1-sulfonamide?
The InChIKey is MDGYACJZOWAKGR-GGAORHGYSA-N. The full InChI is InChI=1S/C24H23F4NO4S/c1-22(2)13-23(30,24(26,27)28)21(16-11-12-17(25)20(33-3)19(16)22)29-34(31,32)18-10-6-8-14-7-4-5-9-15(14)18/h4-12,21,29-30H,13H2,1-3H3/t21-,23+/m1/s1.
What are the key properties of N-[(1R,2S)-6-fluoro-2-hydroxy-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-1-yl]naphthalene-1-sulfonamide?
N-[(1R,2S)-6-fluoro-2-hydroxy-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-1-yl]naphthalene-1-sulfonamide has a molecular weight of 497.51 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-6-fluoro-2-hydroxy-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-1-yl]naphthalene-1-sulfonamide is sourced from PubChem (CID 58893238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).