N-[(3,4-difluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide

C20H17F2N3O4S — CID 58924121

IUPACN-[(3,4-difluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide
SMILESCOc1cncc(NS(=O)(=O)c2ccccc2C(=O)NCc2ccc(F)c(F)c2)c1
InChIInChI=1S/C20H17F2N3O4S/c1-29-15-9-14(11-23-12-15)25-30(27,28)19-5-3-2-4-16(19)20(26)24-10-13-6-7-17(21)18(22)8-13/h2-9,11-12,25H,10H2,1H3,(H,24,26)
InChIKeyBKNCIMAPPAXVNR-UHFFFAOYSA-N
MW433.44 g/mol
LogP3.10
Rot. Bonds7

About N-[(3,4-difluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide

N-[(3,4-difluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide (PubChem CID 58924121) has the molecular formula C20H17F2N3O4S and a molecular weight of 433.44 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide
PubChem CID58924121
Molecular FormulaC20H17F2N3O4S
Molecular Weight433.44 g/mol
Exact Mass433.09
IUPAC NameN-[(3,4-difluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide
SMILESCOc1cncc(NS(=O)(=O)c2ccccc2C(=O)NCc2ccc(F)c(F)c2)c1
InChIInChI=1S/C20H17F2N3O4S/c1-29-15-9-14(11-23-12-15)25-30(27,28)19-5-3-2-4-16(19)20(26)24-10-13-6-7-17(21)18(22)8-13/h2-9,11-12,25H,10H2,1H3,(H,24,26)
InChIKeyBKNCIMAPPAXVNR-UHFFFAOYSA-N
XLogP3.10
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide
CID 58924260
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-[(3,4-difluorophenyl)methyl]-2-(pyridin-3-ylsulfamoyl)benzamide
CID 58924303
N-[2-(2,5-difluorophenyl)ethyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide
CID 58924145
2-[(5-methoxy-3-pyridinyl)sulfamoyl]-N-(2-methylbutyl)benzamide
CID 58924307
N-[(4-methoxyphenyl)methyl]-2-(pyridin-3-ylsulfamoyl)benzamide
CID 58924237
N-[2-(2-chlorophenyl)ethyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide
CID 58924321
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-(5-methoxy-3-pyridinyl)-2-(trifluoromethyl)benzenesulfonamide
CID 134137036

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide (CID 58924121) is N-[(3,4-difluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide is COc1cncc(NS(=O)(=O)c2ccccc2C(=O)NCc2ccc(F)c(F)c2)c1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide?
The InChIKey is BKNCIMAPPAXVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O4S/c1-29-15-9-14(11-23-12-15)25-30(27,28)19-5-3-2-4-16(19)20(26)24-10-13-6-7-17(21)18(22)8-13/h2-9,11-12,25H,10H2,1H3,(H,24,26).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide?
N-[(3,4-difluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide has a molecular weight of 433.44 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide is sourced from PubChem (CID 58924121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).