2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]-N-pyridin-4-ylbenzamide

C20H18ClN3O4S — CID 24981748

IUPAC2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]-N-pyridin-4-ylbenzamide
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccncc2)c1
InChIInChI=1S/C20H18ClN3O4S/c1-24(18-5-3-4-6-19(18)28-2)29(26,27)15-7-8-17(21)16(13-15)20(25)23-14-9-11-22-12-10-14/h3-13H,1-2H3,(H,22,23,25)
InChIKeyFSWGCTFNGTYMIL-UHFFFAOYSA-N
MW431.90 g/mol
LogP3.82
Rot. Bonds6

About 2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]-N-pyridin-4-ylbenzamide

2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]-N-pyridin-4-ylbenzamide (PubChem CID 24981748) has the molecular formula C20H18ClN3O4S and a molecular weight of 431.90 g/mol. Its IUPAC name is 2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]-N-pyridin-4-ylbenzamide
PubChem CID24981748
Molecular FormulaC20H18ClN3O4S
Molecular Weight431.90 g/mol
Exact Mass431.07
IUPAC Name2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]-N-pyridin-4-ylbenzamide
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccncc2)c1
InChIInChI=1S/C20H18ClN3O4S/c1-24(18-5-3-4-6-19(18)28-2)29(26,27)15-7-8-17(21)16(13-15)20(25)23-14-9-11-22-12-10-14/h3-13H,1-2H3,(H,22,23,25)
InChIKeyFSWGCTFNGTYMIL-UHFFFAOYSA-N
XLogP3.82
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.90
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]-N-pyridin-4-ylbenzamide?
The IUPAC name of 2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]-N-pyridin-4-ylbenzamide (CID 24981748) is 2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]-N-pyridin-4-ylbenzamide?
The canonical SMILES for 2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]-N-pyridin-4-ylbenzamide is COc1ccccc1N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccncc2)c1.
What is the InChIKey of 2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]-N-pyridin-4-ylbenzamide?
The InChIKey is FSWGCTFNGTYMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O4S/c1-24(18-5-3-4-6-19(18)28-2)29(26,27)15-7-8-17(21)16(13-15)20(25)23-14-9-11-22-12-10-14/h3-13H,1-2H3,(H,22,23,25).
What are the key properties of 2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]-N-pyridin-4-ylbenzamide?
2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]-N-pyridin-4-ylbenzamide has a molecular weight of 431.90 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 24981748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).