4-methyl-N-[phenyl-[(E)-prop-1-enyl]-λ4-sulfanylidene]benzenesulfonamide

C16H17NO2S2 — CID 92533909

IUPAC4-methyl-N-[phenyl-[(E)-prop-1-enyl]-λ4-sulfanylidene]benzenesulfonamide
SMILESC/C=C/S(=NS(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C16H17NO2S2/c1-3-13-20(15-7-5-4-6-8-15)17-21(18,19)16-11-9-14(2)10-12-16/h3-13H,1-2H3/b13-3+
InChIKeyMERGGXKGUHOUGN-QLKAYGNNSA-N
MW319.45 g/mol
LogP4.08
Rot. Bonds4

About 4-methyl-N-[phenyl-[(E)-prop-1-enyl]-λ4-sulfanylidene]benzenesulfonamide

4-methyl-N-[phenyl-[(E)-prop-1-enyl]-λ4-sulfanylidene]benzenesulfonamide (PubChem CID 92533909) has the molecular formula C16H17NO2S2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 4-methyl-N-[phenyl-[(E)-prop-1-enyl]-λ4-sulfanylidene]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[phenyl-[(E)-prop-1-enyl]-λ4-sulfanylidene]benzenesulfonamide
PubChem CID92533909
Molecular FormulaC16H17NO2S2
Molecular Weight319.45 g/mol
Exact Mass319.07
IUPAC Name4-methyl-N-[phenyl-[(E)-prop-1-enyl]-λ4-sulfanylidene]benzenesulfonamide
SMILESC/C=C/S(=NS(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C16H17NO2S2/c1-3-13-20(15-7-5-4-6-8-15)17-21(18,19)16-11-9-14(2)10-12-16/h3-13H,1-2H3/b13-3+
InChIKeyMERGGXKGUHOUGN-QLKAYGNNSA-N
XLogP4.08
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(NE)-4-methyl-N-[(4-methylphenyl)-[(Z)-2-phenylethenyl]-λ4-sulfanylidene]benzenesulfonamide
CID 15968302
(NE)-N-[benzyl(phenyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide
CID 6436773
4-methyl-N-[oxo(diphenyl)-λ6-sulfanylidene]benzenesulfonamide
CID 12506494
(NE)-N-[(E)-but-2-enylidene]-4-methylbenzenesulfonamide
CID 177419048
N-[(tert-butylamino)-(4-methylphenyl)-lambda4-sulfanylidene]benzenesulfonamide
CID 3271559
N-[(2-bromophenyl)-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide
CID 85398945
(NE)-4-methyl-N-[methyl(naphthalen-1-ylmethyl)-λ4-sulfanylidene]benzenesulfonamide
CID 15973622
(NE)-N-[ethenyl(ethyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide
CID 121223017
N'-(benzenesulfonyl)-N-methyl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide
CID 2873223
4-methyl-N-(phenylimino-λ4-sulfanylidene)benzenesulfonamide
CID 23936503
N-[fluoro-(4-methylphenyl)-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide
CID 163201515
N-(4-methylphenyl)iminobenzenesulfonamide
CID 10869025

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[phenyl-[(E)-prop-1-enyl]-λ4-sulfanylidene]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[phenyl-[(E)-prop-1-enyl]-λ4-sulfanylidene]benzenesulfonamide (CID 92533909) is 4-methyl-N-[phenyl-[(E)-prop-1-enyl]-λ4-sulfanylidene]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[phenyl-[(E)-prop-1-enyl]-λ4-sulfanylidene]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[phenyl-[(E)-prop-1-enyl]-λ4-sulfanylidene]benzenesulfonamide is C/C=C/S(=NS(=O)(=O)c1ccc(C)cc1)c1ccccc1.
What is the InChIKey of 4-methyl-N-[phenyl-[(E)-prop-1-enyl]-λ4-sulfanylidene]benzenesulfonamide?
The InChIKey is MERGGXKGUHOUGN-QLKAYGNNSA-N. The full InChI is InChI=1S/C16H17NO2S2/c1-3-13-20(15-7-5-4-6-8-15)17-21(18,19)16-11-9-14(2)10-12-16/h3-13H,1-2H3/b13-3+.
What are the key properties of 4-methyl-N-[phenyl-[(E)-prop-1-enyl]-λ4-sulfanylidene]benzenesulfonamide?
4-methyl-N-[phenyl-[(E)-prop-1-enyl]-λ4-sulfanylidene]benzenesulfonamide has a molecular weight of 319.45 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[phenyl-[(E)-prop-1-enyl]-λ4-sulfanylidene]benzenesulfonamide is sourced from PubChem (CID 92533909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).