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

C12H15Cl2NO2S2 — CID 46500093

IUPAC(NE)-N-[(2,2-dichlorocyclopropyl)methyl-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=S(\C)CC2CC2(Cl)Cl)cc1
InChIInChI=1S/C12H15Cl2NO2S2/c1-9-3-5-11(6-4-9)19(16,17)15-18(2)8-10-7-12(10,13)14/h3-6,10H,7-8H2,1-2H3
InChIKeyMMMXPPUYGCKETB-UHFFFAOYSA-N
MW340.30 g/mol
LogP3.31
Rot. Bonds4

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

(NE)-N-[(2,2-dichlorocyclopropyl)methyl-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide (PubChem CID 46500093) has the molecular formula C12H15Cl2NO2S2 and a molecular weight of 340.30 g/mol. Its IUPAC name is (NE)-N-[(2,2-dichlorocyclopropyl)methyl-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name(NE)-N-[(2,2-dichlorocyclopropyl)methyl-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide
PubChem CID46500093
Molecular FormulaC12H15Cl2NO2S2
Molecular Weight340.30 g/mol
Exact Mass338.99
IUPAC Name(NE)-N-[(2,2-dichlorocyclopropyl)methyl-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=S(\C)CC2CC2(Cl)Cl)cc1
InChIInChI=1S/C12H15Cl2NO2S2/c1-9-3-5-11(6-4-9)19(16,17)15-18(2)8-10-7-12(10,13)14/h3-6,10H,7-8H2,1-2H3
InChIKeyMMMXPPUYGCKETB-UHFFFAOYSA-N
XLogP3.31
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 53.31
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

(NZ)-N-[(2,2-dichlorocyclopropyl)methyl-(4-methylphenyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide
CID 6098605
1-[[(1R)-2,2-dichlorocyclopropyl]methylsulfonyl]-4-methylbenzene
CID 748157
[4-[S-methyl-N-(4-methylphenyl)sulfonylsulfinimidoyl]cyclohexyl]methyl 4-methylbenzenesulfonate
CID 142383289
(NE)-4-methyl-N-[methyl(naphthalen-1-ylmethyl)-λ4-sulfanylidene]benzenesulfonamide
CID 15973622
(NZ)-N-[ethyl(2-hydroxyethyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide
CID 134928927
1-[(2,2-dichlorocyclopropyl)methyl]-4-methylbenzene
CID 3282668
[(2R)-1-(hydroxymethyl)-2-(4-methylphenyl)sulfonylcyclopropyl]methanol
CID 99999694
(NE)-N-[ethenyl(ethyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide
CID 121223017
N-[(2-bromophenyl)-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide
CID 85398945
(NE)-N-[benzyl(phenyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide
CID 6436773
(NE)-4-methyl-N-[methyl-(4-nitrophenyl)-λ4-sulfanylidene]benzenesulfonamide
CID 11151913
(NZ)-N-(2,3,5,5,6,6-hexachloro-4-oxocyclohex-2-en-1-ylidene)-4-methylbenzenesulfonamide
CID 6138333

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2,2-dichlorocyclopropyl)methyl-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide?
The IUPAC name of (NE)-N-[(2,2-dichlorocyclopropyl)methyl-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide (CID 46500093) is (NE)-N-[(2,2-dichlorocyclopropyl)methyl-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide.
What is the SMILES notation for (NE)-N-[(2,2-dichlorocyclopropyl)methyl-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide?
The canonical SMILES for (NE)-N-[(2,2-dichlorocyclopropyl)methyl-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)/N=S(\C)CC2CC2(Cl)Cl)cc1.
What is the InChIKey of (NE)-N-[(2,2-dichlorocyclopropyl)methyl-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide?
The InChIKey is MMMXPPUYGCKETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO2S2/c1-9-3-5-11(6-4-9)19(16,17)15-18(2)8-10-7-12(10,13)14/h3-6,10H,7-8H2,1-2H3.
What are the key properties of (NE)-N-[(2,2-dichlorocyclopropyl)methyl-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide?
(NE)-N-[(2,2-dichlorocyclopropyl)methyl-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide has a molecular weight of 340.30 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2,2-dichlorocyclopropyl)methyl-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide is sourced from PubChem (CID 46500093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).