N-[4-[[2-(pyridine-3-carbonyl)phenyl]sulfamoyl]phenyl]acetamide

C20H17N3O4S — CID 24895183

IUPACN-[4-[[2-(pyridine-3-carbonyl)phenyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2cccnc2)cc1
InChIInChI=1S/C20H17N3O4S/c1-14(24)22-16-8-10-17(11-9-16)28(26,27)23-19-7-3-2-6-18(19)20(25)15-5-4-12-21-13-15/h2-13,23H,1H3,(H,22,24)
InChIKeySJXMTWOHEIRDFM-UHFFFAOYSA-N
MW395.44 g/mol
LogP3.07
Rot. Bonds6

About N-[4-[[2-(pyridine-3-carbonyl)phenyl]sulfamoyl]phenyl]acetamide

N-[4-[[2-(pyridine-3-carbonyl)phenyl]sulfamoyl]phenyl]acetamide (PubChem CID 24895183) has the molecular formula C20H17N3O4S and a molecular weight of 395.44 g/mol. Its IUPAC name is N-[4-[[2-(pyridine-3-carbonyl)phenyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(pyridine-3-carbonyl)phenyl]sulfamoyl]phenyl]acetamide
PubChem CID24895183
Molecular FormulaC20H17N3O4S
Molecular Weight395.44 g/mol
Exact Mass395.09
IUPAC NameN-[4-[[2-(pyridine-3-carbonyl)phenyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2cccnc2)cc1
InChIInChI=1S/C20H17N3O4S/c1-14(24)22-16-8-10-17(11-9-16)28(26,27)23-19-7-3-2-6-18(19)20(25)15-5-4-12-21-13-15/h2-13,23H,1H3,(H,22,24)
InChIKeySJXMTWOHEIRDFM-UHFFFAOYSA-N
XLogP3.07
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(pyridine-3-carbonyl)phenyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[2-(pyridine-3-carbonyl)phenyl]sulfamoyl]phenyl]acetamide (CID 24895183) is N-[4-[[2-(pyridine-3-carbonyl)phenyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[2-(pyridine-3-carbonyl)phenyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[2-(pyridine-3-carbonyl)phenyl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2cccnc2)cc1.
What is the InChIKey of N-[4-[[2-(pyridine-3-carbonyl)phenyl]sulfamoyl]phenyl]acetamide?
The InChIKey is SJXMTWOHEIRDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4S/c1-14(24)22-16-8-10-17(11-9-16)28(26,27)23-19-7-3-2-6-18(19)20(25)15-5-4-12-21-13-15/h2-13,23H,1H3,(H,22,24).
What are the key properties of N-[4-[[2-(pyridine-3-carbonyl)phenyl]sulfamoyl]phenyl]acetamide?
N-[4-[[2-(pyridine-3-carbonyl)phenyl]sulfamoyl]phenyl]acetamide has a molecular weight of 395.44 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(pyridine-3-carbonyl)phenyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 24895183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).