(NZ)-N-[ethyl(2-hydroxyethyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide

C11H17NO3S2 — CID 134928927

IUPAC(NZ)-N-[ethyl(2-hydroxyethyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide
SMILESCC/S(CCO)=N/S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C11H17NO3S2/c1-3-16(9-8-13)12-17(14,15)11-6-4-10(2)5-7-11/h4-7,13H,3,8-9H2,1-2H3
InChIKeyGVSVTAMCVDWQRU-UHFFFAOYSA-N
MW275.39 g/mol
LogP1.50
Rot. Bonds5

About (NZ)-N-[ethyl(2-hydroxyethyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide

(NZ)-N-[ethyl(2-hydroxyethyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide (PubChem CID 134928927) has the molecular formula C11H17NO3S2 and a molecular weight of 275.39 g/mol. Its IUPAC name is (NZ)-N-[ethyl(2-hydroxyethyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name(NZ)-N-[ethyl(2-hydroxyethyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide
PubChem CID134928927
Molecular FormulaC11H17NO3S2
Molecular Weight275.39 g/mol
Exact Mass275.06
IUPAC Name(NZ)-N-[ethyl(2-hydroxyethyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide
SMILESCC/S(CCO)=N/S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C11H17NO3S2/c1-3-16(9-8-13)12-17(14,15)11-6-4-10(2)5-7-11/h4-7,13H,3,8-9H2,1-2H3
InChIKeyGVSVTAMCVDWQRU-UHFFFAOYSA-N
XLogP1.50
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(NE)-N-[ethenyl(ethyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide
CID 121223017
(NE)-N-[(2,2-dichlorocyclopropyl)methyl-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide
CID 46500093
N,N-bis(2-hydroxyethyl)-N'-(4-methylphenyl)sulfonylmethanimidamide
CID 42637465
(NE)-4-methyl-N-pentylidenebenzenesulfonamide
CID 10911631
(NZ)-4-methyl-N-pentylidenebenzenesulfonamide
CID 134996221
(NE)-N-[benzyl(phenyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide
CID 6436773
N-(hydroxymethyl)-4-methylbenzenesulfonamide;methane
CID 161281270
N-[[4-(chloromethyl)phenyl]-ethyl-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide
CID 153283469
ethyl (2E)-2-(4-methylphenyl)sulfonyliminoacetate
CID 10923109
ethane;1-ethylsulfonyl-4-methylbenzene
CID 142583091
4-methylbenzenesulfonic acid;undecan-1-ol
CID 71361989
[4-[S-methyl-N-(4-methylphenyl)sulfonylsulfinimidoyl]cyclohexyl]methyl 4-methylbenzenesulfonate
CID 142383289

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[ethyl(2-hydroxyethyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide?
The IUPAC name of (NZ)-N-[ethyl(2-hydroxyethyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide (CID 134928927) is (NZ)-N-[ethyl(2-hydroxyethyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide.
What is the SMILES notation for (NZ)-N-[ethyl(2-hydroxyethyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide?
The canonical SMILES for (NZ)-N-[ethyl(2-hydroxyethyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide is CC/S(CCO)=N/S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of (NZ)-N-[ethyl(2-hydroxyethyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide?
The InChIKey is GVSVTAMCVDWQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S2/c1-3-16(9-8-13)12-17(14,15)11-6-4-10(2)5-7-11/h4-7,13H,3,8-9H2,1-2H3.
What are the key properties of (NZ)-N-[ethyl(2-hydroxyethyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide?
(NZ)-N-[ethyl(2-hydroxyethyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide has a molecular weight of 275.39 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[ethyl(2-hydroxyethyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide is sourced from PubChem (CID 134928927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).