4-[(2-chlorophenyl)methoxy]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide

C25H21ClN4O4S — CID 43909791

IUPAC4-[(2-chlorophenyl)methoxy]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(OCc4ccccc4Cl)cc3)cc2)n1
InChIInChI=1S/C25H21ClN4O4S/c1-17-14-15-27-25(28-17)30-35(32,33)22-12-8-20(9-13-22)29-24(31)18-6-10-21(11-7-18)34-16-19-4-2-3-5-23(19)26/h2-15H,16H2,1H3,(H,29,31)(H,27,28,30)
InChIKeyAFPPPXMNNPTEQX-UHFFFAOYSA-N
MW508.99 g/mol
LogP5.07
Rot. Bonds8

About 4-[(2-chlorophenyl)methoxy]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide

4-[(2-chlorophenyl)methoxy]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide (PubChem CID 43909791) has the molecular formula C25H21ClN4O4S and a molecular weight of 508.99 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methoxy]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methoxy]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
PubChem CID43909791
Molecular FormulaC25H21ClN4O4S
Molecular Weight508.99 g/mol
Exact Mass508.10
IUPAC Name4-[(2-chlorophenyl)methoxy]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(OCc4ccccc4Cl)cc3)cc2)n1
InChIInChI=1S/C25H21ClN4O4S/c1-17-14-15-27-25(28-17)30-35(32,33)22-12-8-20(9-13-22)29-24(31)18-6-10-21(11-7-18)34-16-19-4-2-3-5-23(19)26/h2-15H,16H2,1H3,(H,29,31)(H,27,28,30)
InChIKeyAFPPPXMNNPTEQX-UHFFFAOYSA-N
XLogP5.07
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.99
LogP ≤ 55.07
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-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 4-[(2-chlorophenyl)methoxy]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide (CID 43909791) is 4-[(2-chlorophenyl)methoxy]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 4-[(2-chlorophenyl)methoxy]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 4-[(2-chlorophenyl)methoxy]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide is Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(OCc4ccccc4Cl)cc3)cc2)n1.
What is the InChIKey of 4-[(2-chlorophenyl)methoxy]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide?
The InChIKey is AFPPPXMNNPTEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN4O4S/c1-17-14-15-27-25(28-17)30-35(32,33)22-12-8-20(9-13-22)29-24(31)18-6-10-21(11-7-18)34-16-19-4-2-3-5-23(19)26/h2-15H,16H2,1H3,(H,29,31)(H,27,28,30).
What are the key properties of 4-[(2-chlorophenyl)methoxy]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide?
4-[(2-chlorophenyl)methoxy]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide has a molecular weight of 508.99 g/mol, XLogP of 5.07, 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-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 43909791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).