(NE)-N-[benzyl(phenyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide

C20H19NO2S2 — CID 6436773

IUPAC(NE)-N-[benzyl(phenyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=S(\Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H19NO2S2/c1-17-12-14-20(15-13-17)25(22,23)21-24(19-10-6-3-7-11-19)16-18-8-4-2-5-9-18/h2-15H,16H2,1H3
InChIKeyYBJPXMZEOZNRRW-UHFFFAOYSA-N
MW369.51 g/mol
LogP4.74
Rot. Bonds5

About (NE)-N-[benzyl(phenyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide

(NE)-N-[benzyl(phenyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide (PubChem CID 6436773) has the molecular formula C20H19NO2S2 and a molecular weight of 369.51 g/mol. Its IUPAC name is (NE)-N-[benzyl(phenyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name(NE)-N-[benzyl(phenyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide
PubChem CID6436773
Molecular FormulaC20H19NO2S2
Molecular Weight369.51 g/mol
Exact Mass369.09
IUPAC Name(NE)-N-[benzyl(phenyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=S(\Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H19NO2S2/c1-17-12-14-20(15-13-17)25(22,23)21-24(19-10-6-3-7-11-19)16-18-8-4-2-5-9-18/h2-15H,16H2,1H3
InChIKeyYBJPXMZEOZNRRW-UHFFFAOYSA-N
XLogP4.74
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[phenyl-[(E)-prop-1-enyl]-λ4-sulfanylidene]benzenesulfonamide
CID 92533909
4-chloro-N-[2-chloroethyl(phenyl)-λ4-sulfanylidene]benzenesulfonamide
CID 7360379
4-chloro-N-(dibenzyl-lambda4-sulfanylidene)benzenesulfonamide
CID 10644882
(NZ)-N-[(2,2-dichlorocyclopropyl)methyl-(4-methylphenyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide
CID 6098605
N-[(tert-butylamino)-(4-methylphenyl)-lambda4-sulfanylidene]benzenesulfonamide
CID 3271559
(NE)-4-methyl-N-[(4-methylphenyl)-[(Z)-2-phenylethenyl]-λ4-sulfanylidene]benzenesulfonamide
CID 15968302
N-methyl-N-(2-methylphenyl)-N'-(4-methylphenyl)sulfonyl-2-phenylethanimidamide
CID 134847359
(NZ)-N-[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide
CID 10949226
(NE)-4-methyl-N-[methyl(naphthalen-1-ylmethyl)-λ4-sulfanylidene]benzenesulfonamide
CID 15973622
4-methyl-N-[oxo(diphenyl)-λ6-sulfanylidene]benzenesulfonamide
CID 12506494
N'-(4-methylphenyl)sulfonyl-2-phenyl-N,N-di(propan-2-yl)ethanimidamide
CID 46225391
4-methyl-N-[(2S)-4-phenylbutan-2-yl]iminobenzenesulfonamide
CID 10935998

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[benzyl(phenyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide?
The IUPAC name of (NE)-N-[benzyl(phenyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide (CID 6436773) is (NE)-N-[benzyl(phenyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide.
What is the SMILES notation for (NE)-N-[benzyl(phenyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide?
The canonical SMILES for (NE)-N-[benzyl(phenyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)/N=S(\Cc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (NE)-N-[benzyl(phenyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide?
The InChIKey is YBJPXMZEOZNRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2S2/c1-17-12-14-20(15-13-17)25(22,23)21-24(19-10-6-3-7-11-19)16-18-8-4-2-5-9-18/h2-15H,16H2,1H3.
What are the key properties of (NE)-N-[benzyl(phenyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide?
(NE)-N-[benzyl(phenyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide has a molecular weight of 369.51 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[benzyl(phenyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide is sourced from PubChem (CID 6436773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).