(R)-N-[(S)-(2,4-dichlorophenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide

C17H19Cl2NOS — CID 56930329

IUPAC(R)-N-[(S)-(2,4-dichlorophenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H19Cl2NOS/c1-17(2,3)22(21)20-16(12-7-5-4-6-8-12)14-10-9-13(18)11-15(14)19/h4-11,16,20H,1-3H3/t16-,22+/m0/s1
InChIKeyWBFFASMQOJWGRR-KSFYIVLOSA-N
MW356.32 g/mol
LogP5.13
Rot. Bonds4

About (R)-N-[(S)-(2,4-dichlorophenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide

(R)-N-[(S)-(2,4-dichlorophenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide (PubChem CID 56930329) has the molecular formula C17H19Cl2NOS and a molecular weight of 356.32 g/mol. Its IUPAC name is (R)-N-[(S)-(2,4-dichlorophenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(S)-(2,4-dichlorophenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide
PubChem CID56930329
Molecular FormulaC17H19Cl2NOS
Molecular Weight356.32 g/mol
Exact Mass355.06
IUPAC Name(R)-N-[(S)-(2,4-dichlorophenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H19Cl2NOS/c1-17(2,3)22(21)20-16(12-7-5-4-6-8-12)14-10-9-13(18)11-15(14)19/h4-11,16,20H,1-3H3/t16-,22+/m0/s1
InChIKeyWBFFASMQOJWGRR-KSFYIVLOSA-N
XLogP5.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.32
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (R)-N-[(S)-(2,4-dichlorophenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(S)-(2,4-dichlorophenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide (CID 56930329) is (R)-N-[(S)-(2,4-dichlorophenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(S)-(2,4-dichlorophenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(S)-(2,4-dichlorophenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of (R)-N-[(S)-(2,4-dichlorophenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is WBFFASMQOJWGRR-KSFYIVLOSA-N. The full InChI is InChI=1S/C17H19Cl2NOS/c1-17(2,3)22(21)20-16(12-7-5-4-6-8-12)14-10-9-13(18)11-15(14)19/h4-11,16,20H,1-3H3/t16-,22+/m0/s1.
What are the key properties of (R)-N-[(S)-(2,4-dichlorophenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(S)-(2,4-dichlorophenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 356.32 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(S)-(2,4-dichlorophenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 56930329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).