N-[1,4-dioxo-3-[4-(pyrimidin-2-ylsulfamoyl)anilino]naphthalen-2-yl]benzamide

C27H19N5O5S — CID 3299822

IUPACN-[1,4-dioxo-3-[4-(pyrimidin-2-ylsulfamoyl)anilino]naphthalen-2-yl]benzamide
SMILESO=C(NC1=C(Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)C(=O)c2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C27H19N5O5S/c33-24-20-9-4-5-10-21(20)25(34)23(31-26(35)17-7-2-1-3-8-17)22(24)30-18-11-13-19(14-12-18)38(36,37)32-27-28-15-6-16-29-27/h1-16,30H,(H,31,35)(H,28,29,32)
InChIKeyVRLRWMDYLOFGHT-UHFFFAOYSA-N
MW525.55 g/mol
LogP3.41
Rot. Bonds7

About N-[1,4-dioxo-3-[4-(pyrimidin-2-ylsulfamoyl)anilino]naphthalen-2-yl]benzamide

N-[1,4-dioxo-3-[4-(pyrimidin-2-ylsulfamoyl)anilino]naphthalen-2-yl]benzamide (PubChem CID 3299822) has the molecular formula C27H19N5O5S and a molecular weight of 525.55 g/mol. Its IUPAC name is N-[1,4-dioxo-3-[4-(pyrimidin-2-ylsulfamoyl)anilino]naphthalen-2-yl]benzamide.

Molecular Properties

Compound NameN-[1,4-dioxo-3-[4-(pyrimidin-2-ylsulfamoyl)anilino]naphthalen-2-yl]benzamide
PubChem CID3299822
Molecular FormulaC27H19N5O5S
Molecular Weight525.55 g/mol
Exact Mass525.11
IUPAC NameN-[1,4-dioxo-3-[4-(pyrimidin-2-ylsulfamoyl)anilino]naphthalen-2-yl]benzamide
SMILESO=C(NC1=C(Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)C(=O)c2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C27H19N5O5S/c33-24-20-9-4-5-10-21(20)25(34)23(31-26(35)17-7-2-1-3-8-17)22(24)30-18-11-13-19(14-12-18)38(36,37)32-27-28-15-6-16-29-27/h1-16,30H,(H,31,35)(H,28,29,32)
InChIKeyVRLRWMDYLOFGHT-UHFFFAOYSA-N
XLogP3.41
TPSA147.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.55
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamoyl]benzamide
CID 1179236
2,2-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 4185684
4-oxo-4-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
CID 12042500
4-(dimethylsulfamoyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 4671821
3-fluoro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 2521510
3,5-dimethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 2597997
3,3-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 1164323
2,3-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 2937591
6-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyridine-3-carboxamide
CID 2121261
N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-3-carboxamide
CID 674488
2-methyl-2-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 34947849
N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoxaline-2-carboxamide
CID 53382181

Frequently Asked Questions

What is the IUPAC name of N-[1,4-dioxo-3-[4-(pyrimidin-2-ylsulfamoyl)anilino]naphthalen-2-yl]benzamide?
The IUPAC name of N-[1,4-dioxo-3-[4-(pyrimidin-2-ylsulfamoyl)anilino]naphthalen-2-yl]benzamide (CID 3299822) is N-[1,4-dioxo-3-[4-(pyrimidin-2-ylsulfamoyl)anilino]naphthalen-2-yl]benzamide.
What is the SMILES notation for N-[1,4-dioxo-3-[4-(pyrimidin-2-ylsulfamoyl)anilino]naphthalen-2-yl]benzamide?
The canonical SMILES for N-[1,4-dioxo-3-[4-(pyrimidin-2-ylsulfamoyl)anilino]naphthalen-2-yl]benzamide is O=C(NC1=C(Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)C(=O)c2ccccc2C1=O)c1ccccc1.
What is the InChIKey of N-[1,4-dioxo-3-[4-(pyrimidin-2-ylsulfamoyl)anilino]naphthalen-2-yl]benzamide?
The InChIKey is VRLRWMDYLOFGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N5O5S/c33-24-20-9-4-5-10-21(20)25(34)23(31-26(35)17-7-2-1-3-8-17)22(24)30-18-11-13-19(14-12-18)38(36,37)32-27-28-15-6-16-29-27/h1-16,30H,(H,31,35)(H,28,29,32).
What are the key properties of N-[1,4-dioxo-3-[4-(pyrimidin-2-ylsulfamoyl)anilino]naphthalen-2-yl]benzamide?
N-[1,4-dioxo-3-[4-(pyrimidin-2-ylsulfamoyl)anilino]naphthalen-2-yl]benzamide has a molecular weight of 525.55 g/mol, XLogP of 3.41, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,4-dioxo-3-[4-(pyrimidin-2-ylsulfamoyl)anilino]naphthalen-2-yl]benzamide is sourced from PubChem (CID 3299822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).