4-[(2,3-dimethylphenyl)sulfamoyl]-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide

C27H25N3O4S — CID 55858708

IUPAC4-[(2,3-dimethylphenyl)sulfamoyl]-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc(Cn4ccccc4=O)cc3)cc2)c1C
InChIInChI=1S/C27H25N3O4S/c1-19-6-5-7-25(20(19)2)29-35(33,34)24-15-11-22(12-16-24)27(32)28-23-13-9-21(10-14-23)18-30-17-4-3-8-26(30)31/h3-17,29H,18H2,1-2H3,(H,28,32)
InChIKeyHYJXKQNAEZUNHS-UHFFFAOYSA-N
MW487.58 g/mol
LogP4.57
Rot. Bonds7

About 4-[(2,3-dimethylphenyl)sulfamoyl]-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide

4-[(2,3-dimethylphenyl)sulfamoyl]-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide (PubChem CID 55858708) has the molecular formula C27H25N3O4S and a molecular weight of 487.58 g/mol. Its IUPAC name is 4-[(2,3-dimethylphenyl)sulfamoyl]-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide.

Molecular Properties

Compound Name4-[(2,3-dimethylphenyl)sulfamoyl]-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide
PubChem CID55858708
Molecular FormulaC27H25N3O4S
Molecular Weight487.58 g/mol
Exact Mass487.16
IUPAC Name4-[(2,3-dimethylphenyl)sulfamoyl]-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc(Cn4ccccc4=O)cc3)cc2)c1C
InChIInChI=1S/C27H25N3O4S/c1-19-6-5-7-25(20(19)2)29-35(33,34)24-15-11-22(12-16-24)27(32)28-23-13-9-21(10-14-23)18-30-17-4-3-8-26(30)31/h3-17,29H,18H2,1-2H3,(H,28,32)
InChIKeyHYJXKQNAEZUNHS-UHFFFAOYSA-N
XLogP4.57
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.58
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2,3-dimethylphenyl)sulfamoyl]-N-(4-methoxyphenyl)benzamide
CID 9411974
N-(4-fluorophenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9416298
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-3-[(2,3-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 3692029
4-(benzenesulfonamido)-N-(2,3-dimethylphenyl)benzamide
CID 1252770
4-(benzenesulfonamido)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzamide
CID 17052595
2-iodo-3-methyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide
CID 55881732
4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]benzamide
CID 126414644
N-(2,3-dimethylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 8015612
4-[(2,3-dimethylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide
CID 55536362
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-4-ethylbenzamide
CID 55865615
N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 55767178
4-[(2,3-dimethylphenyl)sulfamoyl]-N-(2-ethyl-6-methylphenyl)benzamide
CID 112770782

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dimethylphenyl)sulfamoyl]-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide?
The IUPAC name of 4-[(2,3-dimethylphenyl)sulfamoyl]-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide (CID 55858708) is 4-[(2,3-dimethylphenyl)sulfamoyl]-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide.
What is the SMILES notation for 4-[(2,3-dimethylphenyl)sulfamoyl]-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide?
The canonical SMILES for 4-[(2,3-dimethylphenyl)sulfamoyl]-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide is Cc1cccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc(Cn4ccccc4=O)cc3)cc2)c1C.
What is the InChIKey of 4-[(2,3-dimethylphenyl)sulfamoyl]-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide?
The InChIKey is HYJXKQNAEZUNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O4S/c1-19-6-5-7-25(20(19)2)29-35(33,34)24-15-11-22(12-16-24)27(32)28-23-13-9-21(10-14-23)18-30-17-4-3-8-26(30)31/h3-17,29H,18H2,1-2H3,(H,28,32).
What are the key properties of 4-[(2,3-dimethylphenyl)sulfamoyl]-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide?
4-[(2,3-dimethylphenyl)sulfamoyl]-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide has a molecular weight of 487.58 g/mol, XLogP of 4.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dimethylphenyl)sulfamoyl]-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide is sourced from PubChem (CID 55858708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).