4-methyl-N-[(E)-1-(10H-phenothiazin-2-yl)ethylideneamino]benzenesulfonamide

C21H19N3O2S2 — CID 153354136

IUPAC4-methyl-N-[(E)-1-(10H-phenothiazin-2-yl)ethylideneamino]benzenesulfonamide
SMILESC/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccc2c(c1)Nc1ccccc1S2
InChIInChI=1S/C21H19N3O2S2/c1-14-7-10-17(11-8-14)28(25,26)24-23-15(2)16-9-12-21-19(13-16)22-18-5-3-4-6-20(18)27-21/h3-13,22,24H,1-2H3/b23-15+
InChIKeyIQTCZHZEUSFANI-HZHRSRAPSA-N
MW409.54 g/mol
LogP4.91
Rot. Bonds4

About 4-methyl-N-[(E)-1-(10H-phenothiazin-2-yl)ethylideneamino]benzenesulfonamide

4-methyl-N-[(E)-1-(10H-phenothiazin-2-yl)ethylideneamino]benzenesulfonamide (PubChem CID 153354136) has the molecular formula C21H19N3O2S2 and a molecular weight of 409.54 g/mol. Its IUPAC name is 4-methyl-N-[(E)-1-(10H-phenothiazin-2-yl)ethylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(E)-1-(10H-phenothiazin-2-yl)ethylideneamino]benzenesulfonamide
PubChem CID153354136
Molecular FormulaC21H19N3O2S2
Molecular Weight409.54 g/mol
Exact Mass409.09
IUPAC Name4-methyl-N-[(E)-1-(10H-phenothiazin-2-yl)ethylideneamino]benzenesulfonamide
SMILESC/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccc2c(c1)Nc1ccccc1S2
InChIInChI=1S/C21H19N3O2S2/c1-14-7-10-17(11-8-14)28(25,26)24-23-15(2)16-9-12-21-19(13-16)22-18-5-3-4-6-20(18)27-21/h3-13,22,24H,1-2H3/b23-15+
InChIKeyIQTCZHZEUSFANI-HZHRSRAPSA-N
XLogP4.91
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.54
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(E)-1-(10H-phenothiazin-2-yl)ethylideneamino]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(E)-1-(10H-phenothiazin-2-yl)ethylideneamino]benzenesulfonamide (CID 153354136) is 4-methyl-N-[(E)-1-(10H-phenothiazin-2-yl)ethylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(E)-1-(10H-phenothiazin-2-yl)ethylideneamino]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(E)-1-(10H-phenothiazin-2-yl)ethylideneamino]benzenesulfonamide is C/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccc2c(c1)Nc1ccccc1S2.
What is the InChIKey of 4-methyl-N-[(E)-1-(10H-phenothiazin-2-yl)ethylideneamino]benzenesulfonamide?
The InChIKey is IQTCZHZEUSFANI-HZHRSRAPSA-N. The full InChI is InChI=1S/C21H19N3O2S2/c1-14-7-10-17(11-8-14)28(25,26)24-23-15(2)16-9-12-21-19(13-16)22-18-5-3-4-6-20(18)27-21/h3-13,22,24H,1-2H3/b23-15+.
What are the key properties of 4-methyl-N-[(E)-1-(10H-phenothiazin-2-yl)ethylideneamino]benzenesulfonamide?
4-methyl-N-[(E)-1-(10H-phenothiazin-2-yl)ethylideneamino]benzenesulfonamide has a molecular weight of 409.54 g/mol, XLogP of 4.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(E)-1-(10H-phenothiazin-2-yl)ethylideneamino]benzenesulfonamide is sourced from PubChem (CID 153354136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).