4-[[5-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzenesulfonamide

C17H21N3O3S — CID 5157012

IUPAC4-[[5-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzenesulfonamide
SMILESCCN(CC)c1ccc(O)c(/C=N/c2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C17H21N3O3S/c1-3-20(4-2)15-7-10-17(21)13(11-15)12-19-14-5-8-16(9-6-14)24(18,22)23/h5-12,21H,3-4H2,1-2H3,(H2,18,22,23)/b19-12+
InChIKeyFBJUBQWFYDOPNF-XDHOZWIPSA-N
MW347.44 g/mol
LogP2.64
Rot. Bonds6

About 4-[[5-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzenesulfonamide

4-[[5-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzenesulfonamide (PubChem CID 5157012) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 4-[[5-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[5-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzenesulfonamide
PubChem CID5157012
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name4-[[5-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzenesulfonamide
SMILESCCN(CC)c1ccc(O)c(/C=N/c2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C17H21N3O3S/c1-3-20(4-2)15-7-10-17(21)13(11-15)12-19-14-5-8-16(9-6-14)24(18,22)23/h5-12,21H,3-4H2,1-2H3,(H2,18,22,23)/b19-12+
InChIKeyFBJUBQWFYDOPNF-XDHOZWIPSA-N
XLogP2.64
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 4-[[5-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzenesulfonamide?
The IUPAC name of 4-[[5-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzenesulfonamide (CID 5157012) is 4-[[5-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-[[5-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-[[5-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzenesulfonamide is CCN(CC)c1ccc(O)c(/C=N/c2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of 4-[[5-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzenesulfonamide?
The InChIKey is FBJUBQWFYDOPNF-XDHOZWIPSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-3-20(4-2)15-7-10-17(21)13(11-15)12-19-14-5-8-16(9-6-14)24(18,22)23/h5-12,21H,3-4H2,1-2H3,(H2,18,22,23)/b19-12+.
What are the key properties of 4-[[5-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzenesulfonamide?
4-[[5-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzenesulfonamide has a molecular weight of 347.44 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzenesulfonamide is sourced from PubChem (CID 5157012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).