4-ethoxy-N-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]benzenesulfonamide

C18H23N3O4S — CID 3376258

IUPAC4-ethoxy-N-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NN=Cc2ccc(N(C)CCO)cc2)cc1
InChIInChI=1S/C18H23N3O4S/c1-3-25-17-8-10-18(11-9-17)26(23,24)20-19-14-15-4-6-16(7-5-15)21(2)12-13-22/h4-11,14,20,22H,3,12-13H2,1-2H3
InChIKeyFIUUKDLOLHIOHZ-UHFFFAOYSA-N
MW377.47 g/mol
LogP1.83
Rot. Bonds9

About 4-ethoxy-N-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]benzenesulfonamide

4-ethoxy-N-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]benzenesulfonamide (PubChem CID 3376258) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is 4-ethoxy-N-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]benzenesulfonamide
PubChem CID3376258
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name4-ethoxy-N-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NN=Cc2ccc(N(C)CCO)cc2)cc1
InChIInChI=1S/C18H23N3O4S/c1-3-25-17-8-10-18(11-9-17)26(23,24)20-19-14-15-4-6-16(7-5-15)21(2)12-13-22/h4-11,14,20,22H,3,12-13H2,1-2H3
InChIKeyFIUUKDLOLHIOHZ-UHFFFAOYSA-N
XLogP1.83
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Related Compounds

4-ethoxy-N-[(4-fluorophenyl)methylideneamino]benzenesulfonamide
CID 2643152
N-[(4-chlorophenyl)methylideneamino]-4-ethoxybenzenesulfonamide
CID 2643147
4-ethoxy-N-[(E)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]benzenesulfonamide
CID 110516725
N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-ethoxybenzenesulfonamide
CID 110516650
4-ethoxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 6910172
N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]-4-ethoxybenzenesulfonamide
CID 110516704
N-[[4-[2-cyanoethyl(methyl)amino]phenyl]methylideneamino]-4-methylbenzenesulfonamide
CID 2725204
4-ethoxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzenesulfonamide
CID 6908628
4-ethoxy-N-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]benzenesulfonamide
CID 110516670
4-methoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzenesulfonamide
CID 17338078
4-ethoxy-N-[(2-ethoxyphenyl)methylideneamino]benzenesulfonamide
CID 2643189
N-[[4-(dimethylamino)phenyl]methylideneamino]benzenesulfonamide
CID 872082

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]benzenesulfonamide (CID 3376258) is 4-ethoxy-N-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]benzenesulfonamide is CCOc1ccc(S(=O)(=O)NN=Cc2ccc(N(C)CCO)cc2)cc1.
What is the InChIKey of 4-ethoxy-N-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]benzenesulfonamide?
The InChIKey is FIUUKDLOLHIOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-3-25-17-8-10-18(11-9-17)26(23,24)20-19-14-15-4-6-16(7-5-15)21(2)12-13-22/h4-11,14,20,22H,3,12-13H2,1-2H3.
What are the key properties of 4-ethoxy-N-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]benzenesulfonamide?
4-ethoxy-N-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]benzenesulfonamide has a molecular weight of 377.47 g/mol, XLogP of 1.83, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]benzenesulfonamide is sourced from PubChem (CID 3376258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).