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

C20H21Cl2NOS — CID 73033678

IUPACN-[4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N=C1CCC(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
InChIKeyQCZNDNJKGBTUIR-UHFFFAOYSA-N
MW394.37 g/mol
LogP6.17
Rot. Bonds2

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

N-[4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]-2-methylpropane-2-sulfinamide (PubChem CID 73033678) has the molecular formula C20H21Cl2NOS and a molecular weight of 394.37 g/mol. Its IUPAC name is N-[4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]-2-methylpropane-2-sulfinamide
PubChem CID73033678
Molecular FormulaC20H21Cl2NOS
Molecular Weight394.37 g/mol
Exact Mass393.07
IUPAC NameN-[4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N=C1CCC(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
InChIKeyQCZNDNJKGBTUIR-UHFFFAOYSA-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 N-[4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]-2-methylpropane-2-sulfinamide (CID 73033678) is N-[4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)N=C1CCC(c2ccc(Cl)c(Cl)c2)c2ccccc21.
What is the InChIKey of N-[4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is QCZNDNJKGBTUIR-UHFFFAOYSA-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.
What are the key properties of N-[4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]-2-methylpropane-2-sulfinamide?
N-[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 N-[4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 73033678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).