4-methyl-N-[oxo-[(E)-oxolan-2-ylidenemethyl]-phenyl-λ6-sulfanylidene]benzenesulfonamide

C18H19NO4S2 — CID 101421504

IUPAC4-methyl-N-[oxo-[(E)-oxolan-2-ylidenemethyl]-phenyl-λ6-sulfanylidene]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=S(=O)(/C=C2\CCCO2)c2ccccc2)cc1
InChIInChI=1S/C18H19NO4S2/c1-15-9-11-18(12-10-15)25(21,22)19-24(20,14-16-6-5-13-23-16)17-7-3-2-4-8-17/h2-4,7-12,14H,5-6,13H2,1H3/b16-14+
InChIKeyGBSCVSMSYVSGSQ-JQIJEIRASA-N
MW377.49 g/mol
LogP3.86
Rot. Bonds4

About 4-methyl-N-[oxo-[(E)-oxolan-2-ylidenemethyl]-phenyl-λ6-sulfanylidene]benzenesulfonamide

4-methyl-N-[oxo-[(E)-oxolan-2-ylidenemethyl]-phenyl-λ6-sulfanylidene]benzenesulfonamide (PubChem CID 101421504) has the molecular formula C18H19NO4S2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 4-methyl-N-[oxo-[(E)-oxolan-2-ylidenemethyl]-phenyl-λ6-sulfanylidene]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[oxo-[(E)-oxolan-2-ylidenemethyl]-phenyl-λ6-sulfanylidene]benzenesulfonamide
PubChem CID101421504
Molecular FormulaC18H19NO4S2
Molecular Weight377.49 g/mol
Exact Mass377.08
IUPAC Name4-methyl-N-[oxo-[(E)-oxolan-2-ylidenemethyl]-phenyl-λ6-sulfanylidene]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=S(=O)(/C=C2\CCCO2)c2ccccc2)cc1
InChIInChI=1S/C18H19NO4S2/c1-15-9-11-18(12-10-15)25(21,22)19-24(20,14-16-6-5-13-23-16)17-7-3-2-4-8-17/h2-4,7-12,14H,5-6,13H2,1H3/b16-14+
InChIKeyGBSCVSMSYVSGSQ-JQIJEIRASA-N
XLogP3.86
TPSA72.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(E)-2-cyclohexylethenyl]-oxo-phenyl-λ6-sulfanylidene]-4-methylbenzenesulfonamide
CID 25038897
4-methyl-N-[oxo(diphenyl)-λ6-sulfanylidene]benzenesulfonamide
CID 12506494
(NE)-4-methyl-N-(oxan-2-ylidene)benzenesulfonamide
CID 6144298
3,4-dihydro-2H-chromene;4-methylbenzenesulfonic acid
CID 86612270
4-methyl-N-[oxo-phenyl-(2,4,6-trimethylphenyl)-λ6-sulfanylidene]benzenesulfonamide
CID 15890169
N-[[(R)-fluoro(phenyl)methyl]-oxo-phenyl-λ6-sulfanylidene]-4-methylbenzenesulfonamide
CID 86328639
N-[[(S)-fluoro-(4-methylphenyl)methyl]-oxo-phenyl-λ6-sulfanylidene]-4-methylbenzenesulfonamide
CID 86337609
4-methyl-N-[oxo-phenyl-(2-phenyl-1-trimethylsilylpropyl)-λ6-sulfanylidene]benzenesulfonamide
CID 11799117
N-[fluoro-(4-methylphenyl)-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide
CID 163201515
N-(4-methylphenyl)iminobenzenesulfonamide
CID 10869025
N-(1-benzyl-1λ3-iodinan-2-ylidene)-4-methylbenzenesulfonamide
CID 149251410
N-[[(2R)-2-hydroxy-3-methylbutyl]-oxo-phenyl-λ6-sulfanylidene]-4-methylbenzenesulfonamide
CID 10474967

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[oxo-[(E)-oxolan-2-ylidenemethyl]-phenyl-λ6-sulfanylidene]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[oxo-[(E)-oxolan-2-ylidenemethyl]-phenyl-λ6-sulfanylidene]benzenesulfonamide (CID 101421504) is 4-methyl-N-[oxo-[(E)-oxolan-2-ylidenemethyl]-phenyl-λ6-sulfanylidene]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[oxo-[(E)-oxolan-2-ylidenemethyl]-phenyl-λ6-sulfanylidene]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[oxo-[(E)-oxolan-2-ylidenemethyl]-phenyl-λ6-sulfanylidene]benzenesulfonamide is Cc1ccc(S(=O)(=O)N=S(=O)(/C=C2\CCCO2)c2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-[oxo-[(E)-oxolan-2-ylidenemethyl]-phenyl-λ6-sulfanylidene]benzenesulfonamide?
The InChIKey is GBSCVSMSYVSGSQ-JQIJEIRASA-N. The full InChI is InChI=1S/C18H19NO4S2/c1-15-9-11-18(12-10-15)25(21,22)19-24(20,14-16-6-5-13-23-16)17-7-3-2-4-8-17/h2-4,7-12,14H,5-6,13H2,1H3/b16-14+.
What are the key properties of 4-methyl-N-[oxo-[(E)-oxolan-2-ylidenemethyl]-phenyl-λ6-sulfanylidene]benzenesulfonamide?
4-methyl-N-[oxo-[(E)-oxolan-2-ylidenemethyl]-phenyl-λ6-sulfanylidene]benzenesulfonamide has a molecular weight of 377.49 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[oxo-[(E)-oxolan-2-ylidenemethyl]-phenyl-λ6-sulfanylidene]benzenesulfonamide is sourced from PubChem (CID 101421504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).