4-[(4-ethoxyphenyl)sulfonylamino]-N-pyridin-2-ylbenzenesulfonamide

C19H19N3O5S2 — CID 92674441

IUPAC4-[(4-ethoxyphenyl)sulfonylamino]-N-pyridin-2-ylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1
InChIInChI=1S/C19H19N3O5S2/c1-2-27-16-8-12-18(13-9-16)28(23,24)21-15-6-10-17(11-7-15)29(25,26)22-19-5-3-4-14-20-19/h3-14,21H,2H2,1H3,(H,20,22)
InChIKeyNUYIQLDLKBHANF-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.08
Rot. Bonds8

About 4-[(4-ethoxyphenyl)sulfonylamino]-N-pyridin-2-ylbenzenesulfonamide

4-[(4-ethoxyphenyl)sulfonylamino]-N-pyridin-2-ylbenzenesulfonamide (PubChem CID 92674441) has the molecular formula C19H19N3O5S2 and a molecular weight of 433.51 g/mol. Its IUPAC name is 4-[(4-ethoxyphenyl)sulfonylamino]-N-pyridin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(4-ethoxyphenyl)sulfonylamino]-N-pyridin-2-ylbenzenesulfonamide
PubChem CID92674441
Molecular FormulaC19H19N3O5S2
Molecular Weight433.51 g/mol
Exact Mass433.08
IUPAC Name4-[(4-ethoxyphenyl)sulfonylamino]-N-pyridin-2-ylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1
InChIInChI=1S/C19H19N3O5S2/c1-2-27-16-8-12-18(13-9-16)28(23,24)21-15-6-10-17(11-7-15)29(25,26)22-19-5-3-4-14-20-19/h3-14,21H,2H2,1H3,(H,20,22)
InChIKeyNUYIQLDLKBHANF-UHFFFAOYSA-N
XLogP3.08
TPSA114.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
4-pentyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzenesulfonamide
CID 3868589
N-[4-(4-ethoxyanilino)phenyl]-4-methoxybenzenesulfonamide
CID 112987708
4-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)benzenesulfonamide
CID 22202817
4-ethoxy-N-(4-fluorophenyl)benzenesulfonamide
CID 848328
2-[4-(pyridin-2-ylsulfamoyl)phenoxy]acetic acid
CID 43132249
2-(4-methoxyphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 1078187
4-ethoxy-N-naphthalen-2-ylbenzenesulfonamide
CID 7938656
2-ethoxy-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
CID 1078176
N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 725106
4-[[4-(pyridin-2-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid
CID 4918646

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxyphenyl)sulfonylamino]-N-pyridin-2-ylbenzenesulfonamide?
The IUPAC name of 4-[(4-ethoxyphenyl)sulfonylamino]-N-pyridin-2-ylbenzenesulfonamide (CID 92674441) is 4-[(4-ethoxyphenyl)sulfonylamino]-N-pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[(4-ethoxyphenyl)sulfonylamino]-N-pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[(4-ethoxyphenyl)sulfonylamino]-N-pyridin-2-ylbenzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1.
What is the InChIKey of 4-[(4-ethoxyphenyl)sulfonylamino]-N-pyridin-2-ylbenzenesulfonamide?
The InChIKey is NUYIQLDLKBHANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5S2/c1-2-27-16-8-12-18(13-9-16)28(23,24)21-15-6-10-17(11-7-15)29(25,26)22-19-5-3-4-14-20-19/h3-14,21H,2H2,1H3,(H,20,22).
What are the key properties of 4-[(4-ethoxyphenyl)sulfonylamino]-N-pyridin-2-ylbenzenesulfonamide?
4-[(4-ethoxyphenyl)sulfonylamino]-N-pyridin-2-ylbenzenesulfonamide has a molecular weight of 433.51 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethoxyphenyl)sulfonylamino]-N-pyridin-2-ylbenzenesulfonamide is sourced from PubChem (CID 92674441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).