(S)-N-[(R)-(4-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]-2-methylpropane-2-sulfinamide

C18H19ClF3NOS — CID 135006846

IUPAC(S)-N-[(R)-(4-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)N[C@@H](c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H19ClF3NOS/c1-17(2,3)25(24)23-16(13-6-10-15(19)11-7-13)12-4-8-14(9-5-12)18(20,21)22/h4-11,16,23H,1-3H3/t16-,25+/m1/s1
InChIKeyVBMUVNDSTNKEQL-CPJLOUKISA-N
MW389.87 g/mol
LogP5.50
Rot. Bonds4

About (S)-N-[(R)-(4-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]-2-methylpropane-2-sulfinamide

(S)-N-[(R)-(4-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]-2-methylpropane-2-sulfinamide (PubChem CID 135006846) has the molecular formula C18H19ClF3NOS and a molecular weight of 389.87 g/mol. Its IUPAC name is (S)-N-[(R)-(4-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(S)-N-[(R)-(4-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]-2-methylpropane-2-sulfinamide
PubChem CID135006846
Molecular FormulaC18H19ClF3NOS
Molecular Weight389.87 g/mol
Exact Mass389.08
IUPAC Name(S)-N-[(R)-(4-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)N[C@@H](c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H19ClF3NOS/c1-17(2,3)25(24)23-16(13-6-10-15(19)11-7-13)12-4-8-14(9-5-12)18(20,21)22/h4-11,16,23H,1-3H3/t16-,25+/m1/s1
InChIKeyVBMUVNDSTNKEQL-CPJLOUKISA-N
XLogP5.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.87
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (S)-N-[(R)-(4-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]-2-methylpropane-2-sulfinamide with MolForge

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Related Compounds

(2R)-4-(4-chlorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]butan-2-amine
CID 52514484
(4-Chlorophenyl)(4-methylphenyl)methanamine
CID 43184832
N-[(S)-(4-chlorophenyl)-(3,4-difluorophenyl)methyl]-4-methylbenzenesulfonamide
CID 134952581
2-methyl-N-[(1S)-2,2,2-trifluoro-1-(4-methylphenyl)ethyl]propane-2-sulfinamide
CID 102258355
(4-Chlorophenyl)[4-(trifluoromethyl)phenyl]methanamine
CID 43185145
(R)-N-[(1S)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
CID 11483827
(R)-2-methyl-N-[(R)-phenyl-[4-(trifluoromethyl)phenyl]methyl]propane-2-sulfinamide
CID 11485041
(R)-N-[(1S)-2-(benzenesulfonyl)-1-(4-chlorophenyl)-2,2-difluoroethyl]-2-methylpropane-2-sulfinamide
CID 11626245
(R)-2-methyl-N-[(1S)-3-phenyl-1-[4-(trifluoromethyl)phenyl]but-3-enyl]propane-2-sulfinamide
CID 12023405
N-[1-(4-chlorophenyl)-3-fluorobut-3-enyl]-4-methylbenzenesulfonamide
CID 102336822
N-[(3-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 134904226
N-[(1S)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
CID 134920343

Frequently Asked Questions

What is the IUPAC name of (S)-N-[(R)-(4-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (S)-N-[(R)-(4-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]-2-methylpropane-2-sulfinamide (CID 135006846) is (S)-N-[(R)-(4-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (S)-N-[(R)-(4-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (S)-N-[(R)-(4-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@](=O)N[C@@H](c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (S)-N-[(R)-(4-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]-2-methylpropane-2-sulfinamide?
The InChIKey is VBMUVNDSTNKEQL-CPJLOUKISA-N. The full InChI is InChI=1S/C18H19ClF3NOS/c1-17(2,3)25(24)23-16(13-6-10-15(19)11-7-13)12-4-8-14(9-5-12)18(20,21)22/h4-11,16,23H,1-3H3/t16-,25+/m1/s1.
What are the key properties of (S)-N-[(R)-(4-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]-2-methylpropane-2-sulfinamide?
(S)-N-[(R)-(4-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]-2-methylpropane-2-sulfinamide has a molecular weight of 389.87 g/mol, XLogP of 5.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-[(R)-(4-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 135006846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).