(R)-N-[(1S)-2-(benzenesulfonyl)-1-(4-chlorophenyl)-2,2-difluoroethyl]-2-methylpropane-2-sulfinamide

C18H20ClF2NO3S2 — CID 11626245

IUPAC(R)-N-[(1S)-2-(benzenesulfonyl)-1-(4-chlorophenyl)-2,2-difluoroethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H20ClF2NO3S2/c1-17(2,3)26(23)22-16(13-9-11-14(19)12-10-13)18(20,21)27(24,25)15-7-5-4-6-8-15/h4-12,16,22H,1-3H3/t16-,26+/m0/s1
InChIKeyZPFPHZHSPLHLBK-YHAMSUFESA-N
MW435.95 g/mol
LogP4.50
Rot. Bonds6

About (R)-N-[(1S)-2-(benzenesulfonyl)-1-(4-chlorophenyl)-2,2-difluoroethyl]-2-methylpropane-2-sulfinamide

(R)-N-[(1S)-2-(benzenesulfonyl)-1-(4-chlorophenyl)-2,2-difluoroethyl]-2-methylpropane-2-sulfinamide (PubChem CID 11626245) has the molecular formula C18H20ClF2NO3S2 and a molecular weight of 435.95 g/mol. Its IUPAC name is (R)-N-[(1S)-2-(benzenesulfonyl)-1-(4-chlorophenyl)-2,2-difluoroethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1S)-2-(benzenesulfonyl)-1-(4-chlorophenyl)-2,2-difluoroethyl]-2-methylpropane-2-sulfinamide
PubChem CID11626245
Molecular FormulaC18H20ClF2NO3S2
Molecular Weight435.95 g/mol
Exact Mass435.05
IUPAC Name(R)-N-[(1S)-2-(benzenesulfonyl)-1-(4-chlorophenyl)-2,2-difluoroethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H20ClF2NO3S2/c1-17(2,3)26(23)22-16(13-9-11-14(19)12-10-13)18(20,21)27(24,25)15-7-5-4-6-8-15/h4-12,16,22H,1-3H3/t16-,26+/m0/s1
InChIKeyZPFPHZHSPLHLBK-YHAMSUFESA-N
XLogP4.50
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.95
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1S)-2-(benzenesulfonyl)-1-(4-chlorophenyl)-2,2-difluoroethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1S)-2-(benzenesulfonyl)-1-(4-chlorophenyl)-2,2-difluoroethyl]-2-methylpropane-2-sulfinamide (CID 11626245) is (R)-N-[(1S)-2-(benzenesulfonyl)-1-(4-chlorophenyl)-2,2-difluoroethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1S)-2-(benzenesulfonyl)-1-(4-chlorophenyl)-2,2-difluoroethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1S)-2-(benzenesulfonyl)-1-(4-chlorophenyl)-2,2-difluoroethyl]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)S(=O)(=O)c1ccccc1.
What is the InChIKey of (R)-N-[(1S)-2-(benzenesulfonyl)-1-(4-chlorophenyl)-2,2-difluoroethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is ZPFPHZHSPLHLBK-YHAMSUFESA-N. The full InChI is InChI=1S/C18H20ClF2NO3S2/c1-17(2,3)26(23)22-16(13-9-11-14(19)12-10-13)18(20,21)27(24,25)15-7-5-4-6-8-15/h4-12,16,22H,1-3H3/t16-,26+/m0/s1.
What are the key properties of (R)-N-[(1S)-2-(benzenesulfonyl)-1-(4-chlorophenyl)-2,2-difluoroethyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1S)-2-(benzenesulfonyl)-1-(4-chlorophenyl)-2,2-difluoroethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 435.95 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1S)-2-(benzenesulfonyl)-1-(4-chlorophenyl)-2,2-difluoroethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 11626245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).