(NE)-N-[2-[4-(dimethylamino)phenyl]ethylidene]-4-methylbenzenesulfonamide

C17H20N2O2S — CID 11313119

IUPAC(NE)-N-[2-[4-(dimethylamino)phenyl]ethylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C/Cc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C17H20N2O2S/c1-14-4-10-17(11-5-14)22(20,21)18-13-12-15-6-8-16(9-7-15)19(2)3/h4-11,13H,12H2,1-3H3/b18-13+
InChIKeyPLFZQRMQRYAQEN-QGOAFFKASA-N
MW316.43 g/mol
LogP3.06
Rot. Bonds5

About (NE)-N-[2-[4-(dimethylamino)phenyl]ethylidene]-4-methylbenzenesulfonamide

(NE)-N-[2-[4-(dimethylamino)phenyl]ethylidene]-4-methylbenzenesulfonamide (PubChem CID 11313119) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is (NE)-N-[2-[4-(dimethylamino)phenyl]ethylidene]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name(NE)-N-[2-[4-(dimethylamino)phenyl]ethylidene]-4-methylbenzenesulfonamide
PubChem CID11313119
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name(NE)-N-[2-[4-(dimethylamino)phenyl]ethylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C/Cc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C17H20N2O2S/c1-14-4-10-17(11-5-14)22(20,21)18-13-12-15-6-8-16(9-7-15)19(2)3/h4-11,13H,12H2,1-3H3/b18-13+
InChIKeyPLFZQRMQRYAQEN-QGOAFFKASA-N
XLogP3.06
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[2-[4-(dimethylamino)phenyl]ethylidene]-4-methylbenzenesulfonamide?
The IUPAC name of (NE)-N-[2-[4-(dimethylamino)phenyl]ethylidene]-4-methylbenzenesulfonamide (CID 11313119) is (NE)-N-[2-[4-(dimethylamino)phenyl]ethylidene]-4-methylbenzenesulfonamide.
What is the SMILES notation for (NE)-N-[2-[4-(dimethylamino)phenyl]ethylidene]-4-methylbenzenesulfonamide?
The canonical SMILES for (NE)-N-[2-[4-(dimethylamino)phenyl]ethylidene]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)/N=C/Cc2ccc(N(C)C)cc2)cc1.
What is the InChIKey of (NE)-N-[2-[4-(dimethylamino)phenyl]ethylidene]-4-methylbenzenesulfonamide?
The InChIKey is PLFZQRMQRYAQEN-QGOAFFKASA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-14-4-10-17(11-5-14)22(20,21)18-13-12-15-6-8-16(9-7-15)19(2)3/h4-11,13H,12H2,1-3H3/b18-13+.
What are the key properties of (NE)-N-[2-[4-(dimethylamino)phenyl]ethylidene]-4-methylbenzenesulfonamide?
(NE)-N-[2-[4-(dimethylamino)phenyl]ethylidene]-4-methylbenzenesulfonamide has a molecular weight of 316.43 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[2-[4-(dimethylamino)phenyl]ethylidene]-4-methylbenzenesulfonamide is sourced from PubChem (CID 11313119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).