(R)-N-[(1R,2R)-1-(benzenesulfonyl)-1-fluoro-2-(4-fluorophenyl)propan-2-yl]-2-methylpropane-2-sulfinamide

C19H23F2NO3S2 — CID 135055388

IUPAC(R)-N-[(1R,2R)-1-(benzenesulfonyl)-1-fluoro-2-(4-fluorophenyl)propan-2-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@](C)(c1ccc(F)cc1)[C@H](F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H23F2NO3S2/c1-18(2,3)26(23)22-19(4,14-10-12-15(20)13-11-14)17(21)27(24,25)16-8-6-5-7-9-16/h5-13,17,22H,1-4H3/t17-,19-,26-/m1/s1
InChIKeyIIIYCSWYTLOJTK-MIRXNBLZSA-N
MW415.53 g/mol
LogP3.86
Rot. Bonds6

About (R)-N-[(1R,2R)-1-(benzenesulfonyl)-1-fluoro-2-(4-fluorophenyl)propan-2-yl]-2-methylpropane-2-sulfinamide

(R)-N-[(1R,2R)-1-(benzenesulfonyl)-1-fluoro-2-(4-fluorophenyl)propan-2-yl]-2-methylpropane-2-sulfinamide (PubChem CID 135055388) has the molecular formula C19H23F2NO3S2 and a molecular weight of 415.53 g/mol. Its IUPAC name is (R)-N-[(1R,2R)-1-(benzenesulfonyl)-1-fluoro-2-(4-fluorophenyl)propan-2-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1R,2R)-1-(benzenesulfonyl)-1-fluoro-2-(4-fluorophenyl)propan-2-yl]-2-methylpropane-2-sulfinamide
PubChem CID135055388
Molecular FormulaC19H23F2NO3S2
Molecular Weight415.53 g/mol
Exact Mass415.11
IUPAC Name(R)-N-[(1R,2R)-1-(benzenesulfonyl)-1-fluoro-2-(4-fluorophenyl)propan-2-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@](C)(c1ccc(F)cc1)[C@H](F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H23F2NO3S2/c1-18(2,3)26(23)22-19(4,14-10-12-15(20)13-11-14)17(21)27(24,25)16-8-6-5-7-9-16/h5-13,17,22H,1-4H3/t17-,19-,26-/m1/s1
InChIKeyIIIYCSWYTLOJTK-MIRXNBLZSA-N
XLogP3.86
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1R,2R)-1-(benzenesulfonyl)-1-fluoro-2-(4-fluorophenyl)propan-2-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1R,2R)-1-(benzenesulfonyl)-1-fluoro-2-(4-fluorophenyl)propan-2-yl]-2-methylpropane-2-sulfinamide (CID 135055388) is (R)-N-[(1R,2R)-1-(benzenesulfonyl)-1-fluoro-2-(4-fluorophenyl)propan-2-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1R,2R)-1-(benzenesulfonyl)-1-fluoro-2-(4-fluorophenyl)propan-2-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1R,2R)-1-(benzenesulfonyl)-1-fluoro-2-(4-fluorophenyl)propan-2-yl]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)N[C@](C)(c1ccc(F)cc1)[C@H](F)S(=O)(=O)c1ccccc1.
What is the InChIKey of (R)-N-[(1R,2R)-1-(benzenesulfonyl)-1-fluoro-2-(4-fluorophenyl)propan-2-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is IIIYCSWYTLOJTK-MIRXNBLZSA-N. The full InChI is InChI=1S/C19H23F2NO3S2/c1-18(2,3)26(23)22-19(4,14-10-12-15(20)13-11-14)17(21)27(24,25)16-8-6-5-7-9-16/h5-13,17,22H,1-4H3/t17-,19-,26-/m1/s1.
What are the key properties of (R)-N-[(1R,2R)-1-(benzenesulfonyl)-1-fluoro-2-(4-fluorophenyl)propan-2-yl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1R,2R)-1-(benzenesulfonyl)-1-fluoro-2-(4-fluorophenyl)propan-2-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 415.53 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1R,2R)-1-(benzenesulfonyl)-1-fluoro-2-(4-fluorophenyl)propan-2-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 135055388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).