4-chloro-N-[2-methoxy-5-(pyridin-4-ylmethylsulfamoyl)phenyl]benzamide

C20H18ClN3O4S — CID 6492380

IUPAC4-chloro-N-[2-methoxy-5-(pyridin-4-ylmethylsulfamoyl)phenyl]benzamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccncc2)cc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H18ClN3O4S/c1-28-19-7-6-17(29(26,27)23-13-14-8-10-22-11-9-14)12-18(19)24-20(25)15-2-4-16(21)5-3-15/h2-12,23H,13H2,1H3,(H,24,25)
InChIKeyJFFQCTDIGBYXNN-UHFFFAOYSA-N
MW431.90 g/mol
LogP3.47
Rot. Bonds7

About 4-chloro-N-[2-methoxy-5-(pyridin-4-ylmethylsulfamoyl)phenyl]benzamide

4-chloro-N-[2-methoxy-5-(pyridin-4-ylmethylsulfamoyl)phenyl]benzamide (PubChem CID 6492380) has the molecular formula C20H18ClN3O4S and a molecular weight of 431.90 g/mol. Its IUPAC name is 4-chloro-N-[2-methoxy-5-(pyridin-4-ylmethylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-methoxy-5-(pyridin-4-ylmethylsulfamoyl)phenyl]benzamide
PubChem CID6492380
Molecular FormulaC20H18ClN3O4S
Molecular Weight431.90 g/mol
Exact Mass431.07
IUPAC Name4-chloro-N-[2-methoxy-5-(pyridin-4-ylmethylsulfamoyl)phenyl]benzamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccncc2)cc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H18ClN3O4S/c1-28-19-7-6-17(29(26,27)23-13-14-8-10-22-11-9-14)12-18(19)24-20(25)15-2-4-16(21)5-3-15/h2-12,23H,13H2,1H3,(H,24,25)
InChIKeyJFFQCTDIGBYXNN-UHFFFAOYSA-N
XLogP3.47
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.90
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-methoxy-5-(pyridin-4-ylmethylsulfamoyl)phenyl]benzamide?
The IUPAC name of 4-chloro-N-[2-methoxy-5-(pyridin-4-ylmethylsulfamoyl)phenyl]benzamide (CID 6492380) is 4-chloro-N-[2-methoxy-5-(pyridin-4-ylmethylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-methoxy-5-(pyridin-4-ylmethylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-methoxy-5-(pyridin-4-ylmethylsulfamoyl)phenyl]benzamide is COc1ccc(S(=O)(=O)NCc2ccncc2)cc1NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-methoxy-5-(pyridin-4-ylmethylsulfamoyl)phenyl]benzamide?
The InChIKey is JFFQCTDIGBYXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O4S/c1-28-19-7-6-17(29(26,27)23-13-14-8-10-22-11-9-14)12-18(19)24-20(25)15-2-4-16(21)5-3-15/h2-12,23H,13H2,1H3,(H,24,25).
What are the key properties of 4-chloro-N-[2-methoxy-5-(pyridin-4-ylmethylsulfamoyl)phenyl]benzamide?
4-chloro-N-[2-methoxy-5-(pyridin-4-ylmethylsulfamoyl)phenyl]benzamide has a molecular weight of 431.90 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-methoxy-5-(pyridin-4-ylmethylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 6492380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).