(NE)-4-methyl-N-(2-morpholin-4-ylcyclohexylidene)benzenesulfonamide

C17H24N2O3S — CID 135016982

IUPAC(NE)-4-methyl-N-(2-morpholin-4-ylcyclohexylidene)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C2\CCCCC2N2CCOCC2)cc1
InChIInChI=1S/C17H24N2O3S/c1-14-6-8-15(9-7-14)23(20,21)18-16-4-2-3-5-17(16)19-10-12-22-13-11-19/h6-9,17H,2-5,10-13H2,1H3/b18-16+
InChIKeyQMPFVJQBGLXVDR-FBMGVBCBSA-N
MW336.46 g/mol
LogP2.40
Rot. Bonds3

About (NE)-4-methyl-N-(2-morpholin-4-ylcyclohexylidene)benzenesulfonamide

(NE)-4-methyl-N-(2-morpholin-4-ylcyclohexylidene)benzenesulfonamide (PubChem CID 135016982) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is (NE)-4-methyl-N-(2-morpholin-4-ylcyclohexylidene)benzenesulfonamide.

Molecular Properties

Compound Name(NE)-4-methyl-N-(2-morpholin-4-ylcyclohexylidene)benzenesulfonamide
PubChem CID135016982
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name(NE)-4-methyl-N-(2-morpholin-4-ylcyclohexylidene)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C2\CCCCC2N2CCOCC2)cc1
InChIInChI=1S/C17H24N2O3S/c1-14-6-8-15(9-7-14)23(20,21)18-16-4-2-3-5-17(16)19-10-12-22-13-11-19/h6-9,17H,2-5,10-13H2,1H3/b18-16+
InChIKeyQMPFVJQBGLXVDR-FBMGVBCBSA-N
XLogP2.40
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-4-methyl-N-(2-morpholin-4-ylcyclohexylidene)benzenesulfonamide?
The IUPAC name of (NE)-4-methyl-N-(2-morpholin-4-ylcyclohexylidene)benzenesulfonamide (CID 135016982) is (NE)-4-methyl-N-(2-morpholin-4-ylcyclohexylidene)benzenesulfonamide.
What is the SMILES notation for (NE)-4-methyl-N-(2-morpholin-4-ylcyclohexylidene)benzenesulfonamide?
The canonical SMILES for (NE)-4-methyl-N-(2-morpholin-4-ylcyclohexylidene)benzenesulfonamide is Cc1ccc(S(=O)(=O)/N=C2\CCCCC2N2CCOCC2)cc1.
What is the InChIKey of (NE)-4-methyl-N-(2-morpholin-4-ylcyclohexylidene)benzenesulfonamide?
The InChIKey is QMPFVJQBGLXVDR-FBMGVBCBSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-14-6-8-15(9-7-14)23(20,21)18-16-4-2-3-5-17(16)19-10-12-22-13-11-19/h6-9,17H,2-5,10-13H2,1H3/b18-16+.
What are the key properties of (NE)-4-methyl-N-(2-morpholin-4-ylcyclohexylidene)benzenesulfonamide?
(NE)-4-methyl-N-(2-morpholin-4-ylcyclohexylidene)benzenesulfonamide has a molecular weight of 336.46 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-4-methyl-N-(2-morpholin-4-ylcyclohexylidene)benzenesulfonamide is sourced from PubChem (CID 135016982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).