4-ethoxy-N-[2-(4-hydroxyanilino)-3-pyridinyl]benzenesulfonamide

C19H19N3O4S — CID 15294863

IUPAC4-ethoxy-N-[2-(4-hydroxyanilino)-3-pyridinyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cccnc2Nc2ccc(O)cc2)cc1
InChIInChI=1S/C19H19N3O4S/c1-2-26-16-9-11-17(12-10-16)27(24,25)22-18-4-3-13-20-19(18)21-14-5-7-15(23)8-6-14/h3-13,22-23H,2H2,1H3,(H,20,21)
InChIKeyVIVHSOIQLMXVDO-UHFFFAOYSA-N
MW385.45 g/mol
LogP3.73
Rot. Bonds7

About 4-ethoxy-N-[2-(4-hydroxyanilino)-3-pyridinyl]benzenesulfonamide

4-ethoxy-N-[2-(4-hydroxyanilino)-3-pyridinyl]benzenesulfonamide (PubChem CID 15294863) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is 4-ethoxy-N-[2-(4-hydroxyanilino)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-(4-hydroxyanilino)-3-pyridinyl]benzenesulfonamide
PubChem CID15294863
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name4-ethoxy-N-[2-(4-hydroxyanilino)-3-pyridinyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cccnc2Nc2ccc(O)cc2)cc1
InChIInChI=1S/C19H19N3O4S/c1-2-26-16-9-11-17(12-10-16)27(24,25)22-18-4-3-13-20-19(18)21-14-5-7-15(23)8-6-14/h3-13,22-23H,2H2,1H3,(H,20,21)
InChIKeyVIVHSOIQLMXVDO-UHFFFAOYSA-N
XLogP3.73
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-N-[2-(4-methoxyanilino)-3-pyridinyl]benzenesulfonamide
CID 15294805
[4-[[3-[(4-methoxyphenyl)sulfonylamino]-2-pyridinyl]amino]phenyl] hydrogen sulfate
CID 15294822
N-[3-(4-ethoxyanilino)quinoxalin-2-yl]-4-fluorobenzenesulfonamide
CID 1398916
ethyl 2-[(4-ethoxyphenyl)sulfonylamino]pyridine-3-carboxylate
CID 110446568
4-methoxy-N-[2-(3,4,5-trimethoxyanilino)-3-pyridinyl]benzenesulfonamide
CID 15293874
2-(4-ethoxyanilino)-N-methylpyridine-3-carboxamide
CID 12812828
4-[(4-ethoxyphenyl)sulfonylamino]-N-pyridin-2-ylbenzenesulfonamide
CID 92674441
4-ethoxy-N-(2-ethoxyphenyl)benzenesulfonamide
CID 7559506
4-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)benzenesulfonamide
CID 22202817
N-[4-(4-ethoxyanilino)phenyl]-4-methoxybenzenesulfonamide
CID 112987708
N-[4-(2-cyanoanilino)phenyl]-4-ethoxybenzenesulfonamide
CID 112989912
4-ethoxy-N-naphthalen-2-ylbenzenesulfonamide
CID 7938656

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-(4-hydroxyanilino)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[2-(4-hydroxyanilino)-3-pyridinyl]benzenesulfonamide (CID 15294863) is 4-ethoxy-N-[2-(4-hydroxyanilino)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[2-(4-hydroxyanilino)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[2-(4-hydroxyanilino)-3-pyridinyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2cccnc2Nc2ccc(O)cc2)cc1.
What is the InChIKey of 4-ethoxy-N-[2-(4-hydroxyanilino)-3-pyridinyl]benzenesulfonamide?
The InChIKey is VIVHSOIQLMXVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-2-26-16-9-11-17(12-10-16)27(24,25)22-18-4-3-13-20-19(18)21-14-5-7-15(23)8-6-14/h3-13,22-23H,2H2,1H3,(H,20,21).
What are the key properties of 4-ethoxy-N-[2-(4-hydroxyanilino)-3-pyridinyl]benzenesulfonamide?
4-ethoxy-N-[2-(4-hydroxyanilino)-3-pyridinyl]benzenesulfonamide has a molecular weight of 385.45 g/mol, XLogP of 3.73, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-(4-hydroxyanilino)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 15294863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).