N-[(3-chlorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide

C20H18ClN3O4S — CID 58924260

IUPACN-[(3-chlorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide
SMILESCOc1cncc(NS(=O)(=O)c2ccccc2C(=O)NCc2cccc(Cl)c2)c1
InChIInChI=1S/C20H18ClN3O4S/c1-28-17-10-16(12-22-13-17)24-29(26,27)19-8-3-2-7-18(19)20(25)23-11-14-5-4-6-15(21)9-14/h2-10,12-13,24H,11H2,1H3,(H,23,25)
InChIKeyQFESGTJXYSELGZ-UHFFFAOYSA-N
MW431.90 g/mol
LogP3.47
Rot. Bonds7

About N-[(3-chlorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide

N-[(3-chlorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide (PubChem CID 58924260) has the molecular formula C20H18ClN3O4S and a molecular weight of 431.90 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide
PubChem CID58924260
Molecular FormulaC20H18ClN3O4S
Molecular Weight431.90 g/mol
Exact Mass431.07
IUPAC NameN-[(3-chlorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide
SMILESCOc1cncc(NS(=O)(=O)c2ccccc2C(=O)NCc2cccc(Cl)c2)c1
InChIInChI=1S/C20H18ClN3O4S/c1-28-17-10-16(12-22-13-17)24-29(26,27)19-8-3-2-7-18(19)20(25)23-11-14-5-4-6-15(21)9-14/h2-10,12-13,24H,11H2,1H3,(H,23,25)
InChIKeyQFESGTJXYSELGZ-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

N-[(3,4-difluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide
CID 58924121
2-[(5-methoxy-3-pyridinyl)sulfamoyl]-N-[(4-methylsulfonylphenyl)methyl]benzamide
CID 58924134
N-[(2,3-difluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide
CID 58924343
N-[2-(2-chlorophenyl)ethyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide
CID 58924321
2-[(5-methoxy-3-pyridinyl)sulfamoyl]-N-(2-methylbutyl)benzamide
CID 58924307
N-[2-(2,5-difluorophenyl)ethyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide
CID 58924145
N-[(4-methoxyphenyl)methyl]-2-(pyridin-3-ylsulfamoyl)benzamide
CID 58924237
N-ethyl-2-[(5-methoxy-3-pyridinyl)sulfamoyl]-N-propylbenzamide
CID 58924348
N-[(3-fluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoylmethyl]benzamide
CID 91170176
N-(2-hydroxyethyl)-2-[(5-methoxy-3-pyridinyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 58924202
N-[(3-chlorophenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115668
2-[(5-methoxy-3-pyridinyl)sulfamoyl]-N-methyl-N-(2-phenoxyethyl)benzamide
CID 58924319

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide (CID 58924260) is N-[(3-chlorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide is COc1cncc(NS(=O)(=O)c2ccccc2C(=O)NCc2cccc(Cl)c2)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide?
The InChIKey is QFESGTJXYSELGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O4S/c1-28-17-10-16(12-22-13-17)24-29(26,27)19-8-3-2-7-18(19)20(25)23-11-14-5-4-6-15(21)9-14/h2-10,12-13,24H,11H2,1H3,(H,23,25).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide?
N-[(3-chlorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]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 N-[(3-chlorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide is sourced from PubChem (CID 58924260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).