(R)-N-[(R)-(4-fluorophenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide

C17H20FNOS — CID 134945670

IUPAC(R)-N-[(R)-(4-fluorophenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@H](c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C17H20FNOS/c1-17(2,3)21(20)19-16(13-7-5-4-6-8-13)14-9-11-15(18)12-10-14/h4-12,16,19H,1-3H3/t16-,21-/m1/s1
InChIKeyVULCPFAQNNQNJZ-IIBYNOLFSA-N
MW305.42 g/mol
LogP3.97
Rot. Bonds4

About (R)-N-[(R)-(4-fluorophenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide

(R)-N-[(R)-(4-fluorophenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide (PubChem CID 134945670) has the molecular formula C17H20FNOS and a molecular weight of 305.42 g/mol. Its IUPAC name is (R)-N-[(R)-(4-fluorophenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(R)-(4-fluorophenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide
PubChem CID134945670
Molecular FormulaC17H20FNOS
Molecular Weight305.42 g/mol
Exact Mass305.12
IUPAC Name(R)-N-[(R)-(4-fluorophenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@H](c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C17H20FNOS/c1-17(2,3)21(20)19-16(13-7-5-4-6-8-13)14-9-11-15(18)12-10-14/h4-12,16,19H,1-3H3/t16-,21-/m1/s1
InChIKeyVULCPFAQNNQNJZ-IIBYNOLFSA-N
XLogP3.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (R)-N-[(R)-(4-fluorophenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(R)-(4-fluorophenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide (CID 134945670) is (R)-N-[(R)-(4-fluorophenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(R)-(4-fluorophenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(R)-(4-fluorophenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)N[C@H](c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of (R)-N-[(R)-(4-fluorophenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is VULCPFAQNNQNJZ-IIBYNOLFSA-N. The full InChI is InChI=1S/C17H20FNOS/c1-17(2,3)21(20)19-16(13-7-5-4-6-8-13)14-9-11-15(18)12-10-14/h4-12,16,19H,1-3H3/t16-,21-/m1/s1.
What are the key properties of (R)-N-[(R)-(4-fluorophenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(R)-(4-fluorophenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 305.42 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(R)-(4-fluorophenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 134945670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).