(R)-N-[(4S)-4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]-2-methylpropane-2-sulfinamide

C20H21Cl2NOS — CID 69098024

IUPAC(R)-N-[(4S)-4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N=C1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C20H21Cl2NOS/c1-20(2,3)25(24)23-19-11-9-14(15-6-4-5-7-16(15)19)13-8-10-17(21)18(22)12-13/h4-8,10,12,14H,9,11H2,1-3H3/t14-,25+/m0/s1
InChIKeyQCZNDNJKGBTUIR-HWRSSNJWSA-N
MW394.37 g/mol
LogP6.17
Rot. Bonds2

About (R)-N-[(4S)-4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]-2-methylpropane-2-sulfinamide

(R)-N-[(4S)-4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]-2-methylpropane-2-sulfinamide (PubChem CID 69098024) has the molecular formula C20H21Cl2NOS and a molecular weight of 394.37 g/mol. Its IUPAC name is (R)-N-[(4S)-4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(4S)-4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]-2-methylpropane-2-sulfinamide
PubChem CID69098024
Molecular FormulaC20H21Cl2NOS
Molecular Weight394.37 g/mol
Exact Mass393.07
IUPAC Name(R)-N-[(4S)-4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N=C1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C20H21Cl2NOS/c1-20(2,3)25(24)23-19-11-9-14(15-6-4-5-7-16(15)19)13-8-10-17(21)18(22)12-13/h4-8,10,12,14H,9,11H2,1-3H3/t14-,25+/m0/s1
InChIKeyQCZNDNJKGBTUIR-HWRSSNJWSA-N
XLogP6.17
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.37
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (R)-N-[(4S)-4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(4S)-4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]-2-methylpropane-2-sulfinamide (CID 69098024) is (R)-N-[(4S)-4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(4S)-4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(4S)-4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)N=C1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21.
What is the InChIKey of (R)-N-[(4S)-4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is QCZNDNJKGBTUIR-HWRSSNJWSA-N. The full InChI is InChI=1S/C20H21Cl2NOS/c1-20(2,3)25(24)23-19-11-9-14(15-6-4-5-7-16(15)19)13-8-10-17(21)18(22)12-13/h4-8,10,12,14H,9,11H2,1-3H3/t14-,25+/m0/s1.
What are the key properties of (R)-N-[(4S)-4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]-2-methylpropane-2-sulfinamide?
(R)-N-[(4S)-4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 394.37 g/mol, XLogP of 6.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(4S)-4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 69098024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).