N-[2-[(4-chlorophenyl)sulfonylamino]-2-oxo-1-phenylethyl]-4-(2-oxo-1-pyridinyl)benzamide

C26H20ClN3O5S — CID 69439396

IUPACN-[2-[(4-chlorophenyl)sulfonylamino]-2-oxo-1-phenylethyl]-4-(2-oxo-1-pyridinyl)benzamide
SMILESO=C(NC(C(=O)NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1)c1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C26H20ClN3O5S/c27-20-11-15-22(16-12-20)36(34,35)29-26(33)24(18-6-2-1-3-7-18)28-25(32)19-9-13-21(14-10-19)30-17-5-4-8-23(30)31/h1-17,24H,(H,28,32)(H,29,33)
InChIKeyVTWJHHSRSDTUNF-UHFFFAOYSA-N
MW521.98 g/mol
LogP3.47
Rot. Bonds7

About N-[2-[(4-chlorophenyl)sulfonylamino]-2-oxo-1-phenylethyl]-4-(2-oxo-1-pyridinyl)benzamide

N-[2-[(4-chlorophenyl)sulfonylamino]-2-oxo-1-phenylethyl]-4-(2-oxo-1-pyridinyl)benzamide (PubChem CID 69439396) has the molecular formula C26H20ClN3O5S and a molecular weight of 521.98 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)sulfonylamino]-2-oxo-1-phenylethyl]-4-(2-oxo-1-pyridinyl)benzamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)sulfonylamino]-2-oxo-1-phenylethyl]-4-(2-oxo-1-pyridinyl)benzamide
PubChem CID69439396
Molecular FormulaC26H20ClN3O5S
Molecular Weight521.98 g/mol
Exact Mass521.08
IUPAC NameN-[2-[(4-chlorophenyl)sulfonylamino]-2-oxo-1-phenylethyl]-4-(2-oxo-1-pyridinyl)benzamide
SMILESO=C(NC(C(=O)NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1)c1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C26H20ClN3O5S/c27-20-11-15-22(16-12-20)36(34,35)29-26(33)24(18-6-2-1-3-7-18)28-25(32)19-9-13-21(14-10-19)30-17-5-4-8-23(30)31/h1-17,24H,(H,28,32)(H,29,33)
InChIKeyVTWJHHSRSDTUNF-UHFFFAOYSA-N
XLogP3.47
TPSA114.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.98
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)sulfonylamino]-2-oxo-1-phenylethyl]-4-(2-oxo-1-pyridinyl)benzamide?
The IUPAC name of N-[2-[(4-chlorophenyl)sulfonylamino]-2-oxo-1-phenylethyl]-4-(2-oxo-1-pyridinyl)benzamide (CID 69439396) is N-[2-[(4-chlorophenyl)sulfonylamino]-2-oxo-1-phenylethyl]-4-(2-oxo-1-pyridinyl)benzamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)sulfonylamino]-2-oxo-1-phenylethyl]-4-(2-oxo-1-pyridinyl)benzamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)sulfonylamino]-2-oxo-1-phenylethyl]-4-(2-oxo-1-pyridinyl)benzamide is O=C(NC(C(=O)NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1)c1ccc(-n2ccccc2=O)cc1.
What is the InChIKey of N-[2-[(4-chlorophenyl)sulfonylamino]-2-oxo-1-phenylethyl]-4-(2-oxo-1-pyridinyl)benzamide?
The InChIKey is VTWJHHSRSDTUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClN3O5S/c27-20-11-15-22(16-12-20)36(34,35)29-26(33)24(18-6-2-1-3-7-18)28-25(32)19-9-13-21(14-10-19)30-17-5-4-8-23(30)31/h1-17,24H,(H,28,32)(H,29,33).
What are the key properties of N-[2-[(4-chlorophenyl)sulfonylamino]-2-oxo-1-phenylethyl]-4-(2-oxo-1-pyridinyl)benzamide?
N-[2-[(4-chlorophenyl)sulfonylamino]-2-oxo-1-phenylethyl]-4-(2-oxo-1-pyridinyl)benzamide has a molecular weight of 521.98 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)sulfonylamino]-2-oxo-1-phenylethyl]-4-(2-oxo-1-pyridinyl)benzamide is sourced from PubChem (CID 69439396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).