5-[benzyl(methyl)sulfamoyl]-2-chloro-N-(2-pyridin-2-ylethyl)benzamide

C22H22ClN3O3S — CID 2494801

IUPAC5-[benzyl(methyl)sulfamoyl]-2-chloro-N-(2-pyridin-2-ylethyl)benzamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCc2ccccn2)c1
InChIInChI=1S/C22H22ClN3O3S/c1-26(16-17-7-3-2-4-8-17)30(28,29)19-10-11-21(23)20(15-19)22(27)25-14-12-18-9-5-6-13-24-18/h2-11,13,15H,12,14,16H2,1H3,(H,25,27)
InChIKeyRDOWQIIHXLDCSM-UHFFFAOYSA-N
MW443.96 g/mol
LogP3.53
Rot. Bonds8

About 5-[benzyl(methyl)sulfamoyl]-2-chloro-N-(2-pyridin-2-ylethyl)benzamide

5-[benzyl(methyl)sulfamoyl]-2-chloro-N-(2-pyridin-2-ylethyl)benzamide (PubChem CID 2494801) has the molecular formula C22H22ClN3O3S and a molecular weight of 443.96 g/mol. Its IUPAC name is 5-[benzyl(methyl)sulfamoyl]-2-chloro-N-(2-pyridin-2-ylethyl)benzamide.

Molecular Properties

Compound Name5-[benzyl(methyl)sulfamoyl]-2-chloro-N-(2-pyridin-2-ylethyl)benzamide
PubChem CID2494801
Molecular FormulaC22H22ClN3O3S
Molecular Weight443.96 g/mol
Exact Mass443.11
IUPAC Name5-[benzyl(methyl)sulfamoyl]-2-chloro-N-(2-pyridin-2-ylethyl)benzamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCc2ccccn2)c1
InChIInChI=1S/C22H22ClN3O3S/c1-26(16-17-7-3-2-4-8-17)30(28,29)19-10-11-21(23)20(15-19)22(27)25-14-12-18-9-5-6-13-24-18/h2-11,13,15H,12,14,16H2,1H3,(H,25,27)
InChIKeyRDOWQIIHXLDCSM-UHFFFAOYSA-N
XLogP3.53
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.96
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(methyl)sulfamoyl]-2-chloro-N-(2-pyridin-2-ylethyl)benzamide?
The IUPAC name of 5-[benzyl(methyl)sulfamoyl]-2-chloro-N-(2-pyridin-2-ylethyl)benzamide (CID 2494801) is 5-[benzyl(methyl)sulfamoyl]-2-chloro-N-(2-pyridin-2-ylethyl)benzamide.
What is the SMILES notation for 5-[benzyl(methyl)sulfamoyl]-2-chloro-N-(2-pyridin-2-ylethyl)benzamide?
The canonical SMILES for 5-[benzyl(methyl)sulfamoyl]-2-chloro-N-(2-pyridin-2-ylethyl)benzamide is CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCc2ccccn2)c1.
What is the InChIKey of 5-[benzyl(methyl)sulfamoyl]-2-chloro-N-(2-pyridin-2-ylethyl)benzamide?
The InChIKey is RDOWQIIHXLDCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O3S/c1-26(16-17-7-3-2-4-8-17)30(28,29)19-10-11-21(23)20(15-19)22(27)25-14-12-18-9-5-6-13-24-18/h2-11,13,15H,12,14,16H2,1H3,(H,25,27).
What are the key properties of 5-[benzyl(methyl)sulfamoyl]-2-chloro-N-(2-pyridin-2-ylethyl)benzamide?
5-[benzyl(methyl)sulfamoyl]-2-chloro-N-(2-pyridin-2-ylethyl)benzamide has a molecular weight of 443.96 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl(methyl)sulfamoyl]-2-chloro-N-(2-pyridin-2-ylethyl)benzamide is sourced from PubChem (CID 2494801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).