(NE)-N-[cyclohexyl-[(E)-hex-1-enyl]-λ4-sulfanylidene]-4-methylbenzenesulfonamide

C19H29NO2S2 — CID 134874447

IUPAC(NE)-N-[cyclohexyl-[(E)-hex-1-enyl]-λ4-sulfanylidene]-4-methylbenzenesulfonamide
SMILESCCCC/C=C/S(=N/S(=O)(=O)c1ccc(C)cc1)C1CCCCC1
InChIInChI=1S/C19H29NO2S2/c1-3-4-5-9-16-23(18-10-7-6-8-11-18)20-24(21,22)19-14-12-17(2)13-15-19/h9,12-16,18H,3-8,10-11H2,1-2H3/b16-9+
InChIKeyIFIDLNGFDFERAC-CXUHLZMHSA-N
MW367.58 g/mol
LogP5.52
Rot. Bonds7

About (NE)-N-[cyclohexyl-[(E)-hex-1-enyl]-λ4-sulfanylidene]-4-methylbenzenesulfonamide

(NE)-N-[cyclohexyl-[(E)-hex-1-enyl]-λ4-sulfanylidene]-4-methylbenzenesulfonamide (PubChem CID 134874447) has the molecular formula C19H29NO2S2 and a molecular weight of 367.58 g/mol. Its IUPAC name is (NE)-N-[cyclohexyl-[(E)-hex-1-enyl]-λ4-sulfanylidene]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name(NE)-N-[cyclohexyl-[(E)-hex-1-enyl]-λ4-sulfanylidene]-4-methylbenzenesulfonamide
PubChem CID134874447
Molecular FormulaC19H29NO2S2
Molecular Weight367.58 g/mol
Exact Mass367.16
IUPAC Name(NE)-N-[cyclohexyl-[(E)-hex-1-enyl]-λ4-sulfanylidene]-4-methylbenzenesulfonamide
SMILESCCCC/C=C/S(=N/S(=O)(=O)c1ccc(C)cc1)C1CCCCC1
InChIInChI=1S/C19H29NO2S2/c1-3-4-5-9-16-23(18-10-7-6-8-11-18)20-24(21,22)19-14-12-17(2)13-15-19/h9,12-16,18H,3-8,10-11H2,1-2H3/b16-9+
InChIKeyIFIDLNGFDFERAC-CXUHLZMHSA-N
XLogP5.52
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.58
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(NE)-4-methyl-N-pentylidenebenzenesulfonamide
CID 10911631
(NZ)-4-methyl-N-pentylidenebenzenesulfonamide
CID 134996221
1-[(E)-hex-1-enyl]sulfonyl-4-methylbenzene
CID 12556455
N-(2-cyclohexylhexyl-oxo-phenyl-lambda6-sulfanylidene)-4-methylbenzenesulfonamide
CID 10766445
1-[(E)-dec-1-enyl]sulfonyl-4-methylbenzene
CID 12578443
N-[[(2Z,4Z)-1-hydroxynona-2,4-dien-4-yl]-(4-methylphenyl)-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide
CID 102388143
non-3-enyl 4-methylbenzenesulfonate
CID 73182731
(E)-non-4-en-1-ol;[(E)-non-4-enyl] 4-methylbenzenesulfonate
CID 90871798
[(E)-6-dicyclohexylboranylhex-5-enyl] 4-methylbenzenesulfonate
CID 101475236
N-[[(E)-2-cyclohexylethenyl]-oxo-phenyl-λ6-sulfanylidene]-4-methylbenzenesulfonamide
CID 25038897
[4-[S-methyl-N-(4-methylphenyl)sulfonylsulfinimidoyl]cyclohexyl]methyl 4-methylbenzenesulfonate
CID 142383289
(NE)-N-[ethenyl(ethyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide
CID 121223017

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[cyclohexyl-[(E)-hex-1-enyl]-λ4-sulfanylidene]-4-methylbenzenesulfonamide?
The IUPAC name of (NE)-N-[cyclohexyl-[(E)-hex-1-enyl]-λ4-sulfanylidene]-4-methylbenzenesulfonamide (CID 134874447) is (NE)-N-[cyclohexyl-[(E)-hex-1-enyl]-λ4-sulfanylidene]-4-methylbenzenesulfonamide.
What is the SMILES notation for (NE)-N-[cyclohexyl-[(E)-hex-1-enyl]-λ4-sulfanylidene]-4-methylbenzenesulfonamide?
The canonical SMILES for (NE)-N-[cyclohexyl-[(E)-hex-1-enyl]-λ4-sulfanylidene]-4-methylbenzenesulfonamide is CCCC/C=C/S(=N/S(=O)(=O)c1ccc(C)cc1)C1CCCCC1.
What is the InChIKey of (NE)-N-[cyclohexyl-[(E)-hex-1-enyl]-λ4-sulfanylidene]-4-methylbenzenesulfonamide?
The InChIKey is IFIDLNGFDFERAC-CXUHLZMHSA-N. The full InChI is InChI=1S/C19H29NO2S2/c1-3-4-5-9-16-23(18-10-7-6-8-11-18)20-24(21,22)19-14-12-17(2)13-15-19/h9,12-16,18H,3-8,10-11H2,1-2H3/b16-9+.
What are the key properties of (NE)-N-[cyclohexyl-[(E)-hex-1-enyl]-λ4-sulfanylidene]-4-methylbenzenesulfonamide?
(NE)-N-[cyclohexyl-[(E)-hex-1-enyl]-λ4-sulfanylidene]-4-methylbenzenesulfonamide has a molecular weight of 367.58 g/mol, XLogP of 5.52, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[cyclohexyl-[(E)-hex-1-enyl]-λ4-sulfanylidene]-4-methylbenzenesulfonamide is sourced from PubChem (CID 134874447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).