(NZ)-N-[(2,2-dichlorocyclopropyl)methyl-(4-methylphenyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide

C18H19Cl2NO2S2 — CID 6098605

IUPAC(NZ)-N-[(2,2-dichlorocyclopropyl)methyl-(4-methylphenyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(/S(CC2CC2(Cl)Cl)=N\S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H19Cl2NO2S2/c1-13-3-7-16(8-4-13)24(12-15-11-18(15,19)20)21-25(22,23)17-9-5-14(2)6-10-17/h3-10,15H,11-12H2,1-2H3
InChIKeyYLUVXRGSVGKCQT-UHFFFAOYSA-N
MW416.40 g/mol
LogP5.05
Rot. Bonds5

About (NZ)-N-[(2,2-dichlorocyclopropyl)methyl-(4-methylphenyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide

(NZ)-N-[(2,2-dichlorocyclopropyl)methyl-(4-methylphenyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide (PubChem CID 6098605) has the molecular formula C18H19Cl2NO2S2 and a molecular weight of 416.40 g/mol. Its IUPAC name is (NZ)-N-[(2,2-dichlorocyclopropyl)methyl-(4-methylphenyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name(NZ)-N-[(2,2-dichlorocyclopropyl)methyl-(4-methylphenyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide
PubChem CID6098605
Molecular FormulaC18H19Cl2NO2S2
Molecular Weight416.40 g/mol
Exact Mass415.02
IUPAC Name(NZ)-N-[(2,2-dichlorocyclopropyl)methyl-(4-methylphenyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(/S(CC2CC2(Cl)Cl)=N\S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H19Cl2NO2S2/c1-13-3-7-16(8-4-13)24(12-15-11-18(15,19)20)21-25(22,23)17-9-5-14(2)6-10-17/h3-10,15H,11-12H2,1-2H3
InChIKeyYLUVXRGSVGKCQT-UHFFFAOYSA-N
XLogP5.05
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.40
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(NE)-N-[(2,2-dichlorocyclopropyl)methyl-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide
CID 46500093
1-[[(1R)-2,2-dichlorocyclopropyl]methylsulfonyl]-4-methylbenzene
CID 748157
(NE)-N-[benzyl(phenyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide
CID 6436773
1-[(2,2-dichlorocyclopropyl)methyl]-4-methylbenzene
CID 3282668
(NZ)-N-[[(2S)-2-ethoxy-2-(4-methoxyphenyl)ethyl]-(4-methylphenyl)-lambda4-sulfanylidene]-4-methylbenzenesulfonamide
CID 10504599
[4-[S-methyl-N-(4-methylphenyl)sulfonylsulfinimidoyl]cyclohexyl]methyl 4-methylbenzenesulfonate
CID 142383289
(NE)-4-methyl-N-[methyl-(4-nitrophenyl)-λ4-sulfanylidene]benzenesulfonamide
CID 11151913
(NE)-N-[ethenyl(ethyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide
CID 121223017
N-[(tert-butylamino)-(4-methylphenyl)-lambda4-sulfanylidene]benzenesulfonamide
CID 3271559
(NZ)-N-[ethyl(2-hydroxyethyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide
CID 134928927
(NE)-N-[[4-[(4-chlorophenyl)methoxy]phenyl]-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide
CID 46245550
(NE)-4-methyl-N-[(4-methylphenyl)-[(Z)-2-phenylethenyl]-λ4-sulfanylidene]benzenesulfonamide
CID 15968302

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(2,2-dichlorocyclopropyl)methyl-(4-methylphenyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide?
The IUPAC name of (NZ)-N-[(2,2-dichlorocyclopropyl)methyl-(4-methylphenyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide (CID 6098605) is (NZ)-N-[(2,2-dichlorocyclopropyl)methyl-(4-methylphenyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide.
What is the SMILES notation for (NZ)-N-[(2,2-dichlorocyclopropyl)methyl-(4-methylphenyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide?
The canonical SMILES for (NZ)-N-[(2,2-dichlorocyclopropyl)methyl-(4-methylphenyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide is Cc1ccc(/S(CC2CC2(Cl)Cl)=N\S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of (NZ)-N-[(2,2-dichlorocyclopropyl)methyl-(4-methylphenyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide?
The InChIKey is YLUVXRGSVGKCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO2S2/c1-13-3-7-16(8-4-13)24(12-15-11-18(15,19)20)21-25(22,23)17-9-5-14(2)6-10-17/h3-10,15H,11-12H2,1-2H3.
What are the key properties of (NZ)-N-[(2,2-dichlorocyclopropyl)methyl-(4-methylphenyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide?
(NZ)-N-[(2,2-dichlorocyclopropyl)methyl-(4-methylphenyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide has a molecular weight of 416.40 g/mol, XLogP of 5.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(2,2-dichlorocyclopropyl)methyl-(4-methylphenyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide is sourced from PubChem (CID 6098605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).