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

C20H18ClN3O4S — CID 43002443

IUPAC3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
SMILESCOc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)NCc2ccccn2)c1
InChIInChI=1S/C20H18ClN3O4S/c1-28-19-9-8-15(21)12-18(19)24-29(26,27)17-7-4-5-14(11-17)20(25)23-13-16-6-2-3-10-22-16/h2-12,24H,13H2,1H3,(H,23,25)
InChIKeyPRCLHMIBBAVVCT-UHFFFAOYSA-N
MW431.90 g/mol
LogP3.47
Rot. Bonds7

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

3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 43002443) has the molecular formula C20H18ClN3O4S and a molecular weight of 431.90 g/mol. Its IUPAC name is 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
PubChem CID43002443
Molecular FormulaC20H18ClN3O4S
Molecular Weight431.90 g/mol
Exact Mass431.07
IUPAC Name3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
SMILESCOc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)NCc2ccccn2)c1
InChIInChI=1S/C20H18ClN3O4S/c1-28-19-9-8-15(21)12-18(19)24-29(26,27)17-7-4-5-14(11-17)20(25)23-13-16-6-2-3-10-22-16/h2-12,24H,13H2,1H3,(H,23,25)
InChIKeyPRCLHMIBBAVVCT-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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Related Compounds

3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 17466951
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 30861039
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 46652166
4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 9414636
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(2-ethylphenyl)benzamide
CID 46540697
3-[(3,4-dimethylphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 109064830
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(2-fluorophenyl)benzamide
CID 26584389
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
CID 24816551
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[4-(methylcarbamoylamino)phenyl]benzamide
CID 55521474
N-(3-chloro-4-methoxyphenyl)-3-[(5-chloro-2-methoxyphenyl)sulfamoyl]benzamide
CID 27256046
3-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 24686310
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-ethyl-N-phenylbenzamide
CID 39584336

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide (CID 43002443) is 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide is COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)NCc2ccccn2)c1.
What is the InChIKey of 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is PRCLHMIBBAVVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O4S/c1-28-19-9-8-15(21)12-18(19)24-29(26,27)17-7-4-5-14(11-17)20(25)23-13-16-6-2-3-10-22-16/h2-12,24H,13H2,1H3,(H,23,25).
What are the key properties of 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide?
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)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 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 43002443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).