(NE)-N-[ethenyl(ethyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide

C11H15NO2S2 — CID 121223017

IUPAC(NE)-N-[ethenyl(ethyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide
SMILESC=C/S(CC)=N/S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C11H15NO2S2/c1-4-15(5-2)12-16(13,14)11-8-6-10(3)7-9-11/h4,6-9H,1,5H2,2-3H3
InChIKeySHJAFXYJHGUSBM-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.65
Rot. Bonds4

About (NE)-N-[ethenyl(ethyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide

(NE)-N-[ethenyl(ethyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide (PubChem CID 121223017) has the molecular formula C11H15NO2S2 and a molecular weight of 257.38 g/mol. Its IUPAC name is (NE)-N-[ethenyl(ethyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name(NE)-N-[ethenyl(ethyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide
PubChem CID121223017
Molecular FormulaC11H15NO2S2
Molecular Weight257.38 g/mol
Exact Mass257.05
IUPAC Name(NE)-N-[ethenyl(ethyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide
SMILESC=C/S(CC)=N/S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C11H15NO2S2/c1-4-15(5-2)12-16(13,14)11-8-6-10(3)7-9-11/h4,6-9H,1,5H2,2-3H3
InChIKeySHJAFXYJHGUSBM-UHFFFAOYSA-N
XLogP2.65
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(NZ)-N-[ethyl(2-hydroxyethyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide
CID 134928927
(NE)-4-methyl-N-pentylidenebenzenesulfonamide
CID 10911631
(NZ)-4-methyl-N-pentylidenebenzenesulfonamide
CID 134996221
N-diazo-4-methylbenzenesulfonamide
CID 13661
N-ethyl-N-methyl-N'-(4-methylphenyl)sulfonylmethanimidamide
CID 146170089
(NE)-N-[benzyl(phenyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide
CID 6436773
4-methyl-N-[phenyl-[(E)-prop-1-enyl]-λ4-sulfanylidene]benzenesulfonamide
CID 92533909
(NE)-N-[(2,2-dichlorocyclopropyl)methyl-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide
CID 46500093
N-[[4-(chloromethyl)phenyl]-ethyl-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide
CID 153283469
ethyl (2E)-2-(4-methylphenyl)sulfonyliminoacetate
CID 10923109
(NE)-N-[cyclohexyl-[(E)-hex-1-enyl]-λ4-sulfanylidene]-4-methylbenzenesulfonamide
CID 134874447
ethane;1-ethylsulfonyl-4-methylbenzene
CID 142583091

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[ethenyl(ethyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide?
The IUPAC name of (NE)-N-[ethenyl(ethyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide (CID 121223017) is (NE)-N-[ethenyl(ethyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide.
What is the SMILES notation for (NE)-N-[ethenyl(ethyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide?
The canonical SMILES for (NE)-N-[ethenyl(ethyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide is C=C/S(CC)=N/S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of (NE)-N-[ethenyl(ethyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide?
The InChIKey is SHJAFXYJHGUSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S2/c1-4-15(5-2)12-16(13,14)11-8-6-10(3)7-9-11/h4,6-9H,1,5H2,2-3H3.
What are the key properties of (NE)-N-[ethenyl(ethyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide?
(NE)-N-[ethenyl(ethyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide has a molecular weight of 257.38 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[ethenyl(ethyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide is sourced from PubChem (CID 121223017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).