4-[(2-chlorophenyl)methoxy]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide

C26H23ClN4O4S — CID 30399731

IUPAC4-[(2-chlorophenyl)methoxy]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(OCc4ccccc4Cl)cc3)cc2)n1
InChIInChI=1S/C26H23ClN4O4S/c1-17-15-18(2)29-26(28-17)31-36(33,34)23-13-9-21(10-14-23)30-25(32)19-7-11-22(12-8-19)35-16-20-5-3-4-6-24(20)27/h3-15H,16H2,1-2H3,(H,30,32)(H,28,29,31)
InChIKeyGROXSFSTCRVZIY-UHFFFAOYSA-N
MW523.01 g/mol
LogP5.38
Rot. Bonds8

About 4-[(2-chlorophenyl)methoxy]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide

4-[(2-chlorophenyl)methoxy]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide (PubChem CID 30399731) has the molecular formula C26H23ClN4O4S and a molecular weight of 523.01 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methoxy]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methoxy]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
PubChem CID30399731
Molecular FormulaC26H23ClN4O4S
Molecular Weight523.01 g/mol
Exact Mass522.11
IUPAC Name4-[(2-chlorophenyl)methoxy]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(OCc4ccccc4Cl)cc3)cc2)n1
InChIInChI=1S/C26H23ClN4O4S/c1-17-15-18(2)29-26(28-17)31-36(33,34)23-13-9-21(10-14-23)30-25(32)19-7-11-22(12-8-19)35-16-20-5-3-4-6-24(20)27/h3-15H,16H2,1-2H3,(H,30,32)(H,28,29,31)
InChIKeyGROXSFSTCRVZIY-UHFFFAOYSA-N
XLogP5.38
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.01
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methoxy]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 4-[(2-chlorophenyl)methoxy]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide (CID 30399731) is 4-[(2-chlorophenyl)methoxy]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 4-[(2-chlorophenyl)methoxy]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 4-[(2-chlorophenyl)methoxy]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide is Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(OCc4ccccc4Cl)cc3)cc2)n1.
What is the InChIKey of 4-[(2-chlorophenyl)methoxy]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide?
The InChIKey is GROXSFSTCRVZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN4O4S/c1-17-15-18(2)29-26(28-17)31-36(33,34)23-13-9-21(10-14-23)30-25(32)19-7-11-22(12-8-19)35-16-20-5-3-4-6-24(20)27/h3-15H,16H2,1-2H3,(H,30,32)(H,28,29,31).
What are the key properties of 4-[(2-chlorophenyl)methoxy]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide?
4-[(2-chlorophenyl)methoxy]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide has a molecular weight of 523.01 g/mol, XLogP of 5.38, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methoxy]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 30399731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).