2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]-N-(pyridin-3-ylmethyl)benzamide

C21H20ClN3O4S — CID 24982980

IUPAC2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2cccnc2)c1
InChIInChI=1S/C21H20ClN3O4S/c1-25(19-7-3-4-8-20(19)29-2)30(27,28)16-9-10-18(22)17(12-16)21(26)24-14-15-6-5-11-23-13-15/h3-13H,14H2,1-2H3,(H,24,26)
InChIKeyRDDKJKVIDKTFJE-UHFFFAOYSA-N
MW445.93 g/mol
LogP3.50
Rot. Bonds7

About 2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]-N-(pyridin-3-ylmethyl)benzamide

2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 24982980) has the molecular formula C21H20ClN3O4S and a molecular weight of 445.93 g/mol. Its IUPAC name is 2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID24982980
Molecular FormulaC21H20ClN3O4S
Molecular Weight445.93 g/mol
Exact Mass445.09
IUPAC Name2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2cccnc2)c1
InChIInChI=1S/C21H20ClN3O4S/c1-25(19-7-3-4-8-20(19)29-2)30(27,28)16-9-10-18(22)17(12-16)21(26)24-14-15-6-5-11-23-13-15/h3-13H,14H2,1-2H3,(H,24,26)
InChIKeyRDDKJKVIDKTFJE-UHFFFAOYSA-N
XLogP3.50
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.93
LogP ≤ 53.50
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-3-ylmethyl)benzamide?
The IUPAC name of 2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]-N-(pyridin-3-ylmethyl)benzamide (CID 24982980) is 2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]-N-(pyridin-3-ylmethyl)benzamide is COc1ccccc1N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2cccnc2)c1.
What is the InChIKey of 2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is RDDKJKVIDKTFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O4S/c1-25(19-7-3-4-8-20(19)29-2)30(27,28)16-9-10-18(22)17(12-16)21(26)24-14-15-6-5-11-23-13-15/h3-13H,14H2,1-2H3,(H,24,26).
What are the key properties of 2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]-N-(pyridin-3-ylmethyl)benzamide?
2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 445.93 g/mol, XLogP of 3.50, 7 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-3-ylmethyl)benzamide is sourced from PubChem (CID 24982980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).