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

C21H19F2N3O4S — CID 58924269

IUPACN-[(3,4-difluorophenyl)methyl]-2-[(5-ethoxy-3-pyridinyl)sulfamoyl]benzamide
SMILESCCOc1cncc(NS(=O)(=O)c2ccccc2C(=O)NCc2ccc(F)c(F)c2)c1
InChIInChI=1S/C21H19F2N3O4S/c1-2-30-16-10-15(12-24-13-16)26-31(28,29)20-6-4-3-5-17(20)21(27)25-11-14-7-8-18(22)19(23)9-14/h3-10,12-13,26H,2,11H2,1H3,(H,25,27)
InChIKeyBWEQTNKWSRHHBB-UHFFFAOYSA-N
MW447.46 g/mol
LogP3.49
Rot. Bonds8

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

N-[(3,4-difluorophenyl)methyl]-2-[(5-ethoxy-3-pyridinyl)sulfamoyl]benzamide (PubChem CID 58924269) has the molecular formula C21H19F2N3O4S and a molecular weight of 447.46 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-2-[(5-ethoxy-3-pyridinyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-2-[(5-ethoxy-3-pyridinyl)sulfamoyl]benzamide
PubChem CID58924269
Molecular FormulaC21H19F2N3O4S
Molecular Weight447.46 g/mol
Exact Mass447.11
IUPAC NameN-[(3,4-difluorophenyl)methyl]-2-[(5-ethoxy-3-pyridinyl)sulfamoyl]benzamide
SMILESCCOc1cncc(NS(=O)(=O)c2ccccc2C(=O)NCc2ccc(F)c(F)c2)c1
InChIInChI=1S/C21H19F2N3O4S/c1-2-30-16-10-15(12-24-13-16)26-31(28,29)20-6-4-3-5-17(20)21(27)25-11-14-7-8-18(22)19(23)9-14/h3-10,12-13,26H,2,11H2,1H3,(H,25,27)
InChIKeyBWEQTNKWSRHHBB-UHFFFAOYSA-N
XLogP3.49
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.46
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-2-[(5-ethoxy-3-pyridinyl)sulfamoyl]benzamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-2-[(5-ethoxy-3-pyridinyl)sulfamoyl]benzamide (CID 58924269) is N-[(3,4-difluorophenyl)methyl]-2-[(5-ethoxy-3-pyridinyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-2-[(5-ethoxy-3-pyridinyl)sulfamoyl]benzamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-2-[(5-ethoxy-3-pyridinyl)sulfamoyl]benzamide is CCOc1cncc(NS(=O)(=O)c2ccccc2C(=O)NCc2ccc(F)c(F)c2)c1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-2-[(5-ethoxy-3-pyridinyl)sulfamoyl]benzamide?
The InChIKey is BWEQTNKWSRHHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O4S/c1-2-30-16-10-15(12-24-13-16)26-31(28,29)20-6-4-3-5-17(20)21(27)25-11-14-7-8-18(22)19(23)9-14/h3-10,12-13,26H,2,11H2,1H3,(H,25,27).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-2-[(5-ethoxy-3-pyridinyl)sulfamoyl]benzamide?
N-[(3,4-difluorophenyl)methyl]-2-[(5-ethoxy-3-pyridinyl)sulfamoyl]benzamide has a molecular weight of 447.46 g/mol, XLogP of 3.49, 8 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-ethoxy-3-pyridinyl)sulfamoyl]benzamide is sourced from PubChem (CID 58924269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).