N-[4-[(4-acetamidophenyl)sulfonyl-pyridin-3-ylsulfamoyl]phenyl]acetamide

C21H20N4O6S2 — CID 2167915

IUPACN-[4-[(4-acetamidophenyl)sulfonyl-pyridin-3-ylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(c2cccnc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C21H20N4O6S2/c1-15(26)23-17-5-9-20(10-6-17)32(28,29)25(19-4-3-13-22-14-19)33(30,31)21-11-7-18(8-12-21)24-16(2)27/h3-14H,1-2H3,(H,23,26)(H,24,27)
InChIKeyIINWJFAHZBOVJC-UHFFFAOYSA-N
MW488.55 g/mol
LogP2.58
Rot. Bonds7

About N-[4-[(4-acetamidophenyl)sulfonyl-pyridin-3-ylsulfamoyl]phenyl]acetamide

N-[4-[(4-acetamidophenyl)sulfonyl-pyridin-3-ylsulfamoyl]phenyl]acetamide (PubChem CID 2167915) has the molecular formula C21H20N4O6S2 and a molecular weight of 488.55 g/mol. Its IUPAC name is N-[4-[(4-acetamidophenyl)sulfonyl-pyridin-3-ylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-acetamidophenyl)sulfonyl-pyridin-3-ylsulfamoyl]phenyl]acetamide
PubChem CID2167915
Molecular FormulaC21H20N4O6S2
Molecular Weight488.55 g/mol
Exact Mass488.08
IUPAC NameN-[4-[(4-acetamidophenyl)sulfonyl-pyridin-3-ylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(c2cccnc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C21H20N4O6S2/c1-15(26)23-17-5-9-20(10-6-17)32(28,29)25(19-4-3-13-22-14-19)33(30,31)21-11-7-18(8-12-21)24-16(2)27/h3-14H,1-2H3,(H,23,26)(H,24,27)
InChIKeyIINWJFAHZBOVJC-UHFFFAOYSA-N
XLogP2.58
TPSA142.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.55
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-acetamidophenyl)sulfonyl-pyridin-3-ylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(4-acetamidophenyl)sulfonyl-pyridin-3-ylsulfamoyl]phenyl]acetamide (CID 2167915) is N-[4-[(4-acetamidophenyl)sulfonyl-pyridin-3-ylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(4-acetamidophenyl)sulfonyl-pyridin-3-ylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(4-acetamidophenyl)sulfonyl-pyridin-3-ylsulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N(c2cccnc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of N-[4-[(4-acetamidophenyl)sulfonyl-pyridin-3-ylsulfamoyl]phenyl]acetamide?
The InChIKey is IINWJFAHZBOVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O6S2/c1-15(26)23-17-5-9-20(10-6-17)32(28,29)25(19-4-3-13-22-14-19)33(30,31)21-11-7-18(8-12-21)24-16(2)27/h3-14H,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N-[4-[(4-acetamidophenyl)sulfonyl-pyridin-3-ylsulfamoyl]phenyl]acetamide?
N-[4-[(4-acetamidophenyl)sulfonyl-pyridin-3-ylsulfamoyl]phenyl]acetamide has a molecular weight of 488.55 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-acetamidophenyl)sulfonyl-pyridin-3-ylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 2167915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).