N-[(3-fluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoylmethyl]benzamide

C21H20FN3O4S — CID 91170176

IUPACN-[(3-fluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoylmethyl]benzamide
SMILESCOc1cncc(NS(=O)(=O)Cc2ccccc2C(=O)NCc2cccc(F)c2)c1
InChIInChI=1S/C21H20FN3O4S/c1-29-19-10-18(12-23-13-19)25-30(27,28)14-16-6-2-3-8-20(16)21(26)24-11-15-5-4-7-17(22)9-15/h2-10,12-13,25H,11,14H2,1H3,(H,24,26)
InChIKeyJJJIACDWHOIPBA-UHFFFAOYSA-N
MW429.47 g/mol
LogP3.10
Rot. Bonds8

About N-[(3-fluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoylmethyl]benzamide

N-[(3-fluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoylmethyl]benzamide (PubChem CID 91170176) has the molecular formula C21H20FN3O4S and a molecular weight of 429.47 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoylmethyl]benzamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoylmethyl]benzamide
PubChem CID91170176
Molecular FormulaC21H20FN3O4S
Molecular Weight429.47 g/mol
Exact Mass429.12
IUPAC NameN-[(3-fluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoylmethyl]benzamide
SMILESCOc1cncc(NS(=O)(=O)Cc2ccccc2C(=O)NCc2cccc(F)c2)c1
InChIInChI=1S/C21H20FN3O4S/c1-29-19-10-18(12-23-13-19)25-30(27,28)14-16-6-2-3-8-20(16)21(26)24-11-15-5-4-7-17(22)9-15/h2-10,12-13,25H,11,14H2,1H3,(H,24,26)
InChIKeyJJJIACDWHOIPBA-UHFFFAOYSA-N
XLogP3.10
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.47
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3-fluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoylmethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-chlorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide
CID 58924260
N-[(3,4-difluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide
CID 58924121
N-[(2,3-difluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide
CID 58924343
2-[(5-methoxy-3-pyridinyl)sulfamoyl]-N-[(4-methylsulfonylphenyl)methyl]benzamide
CID 58924134
N-[2-(2,5-difluorophenyl)ethyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide
CID 58924145
N-[2-(2-chlorophenyl)ethyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide
CID 58924321
(3-fluorophenyl)methanamine;N-[(3-fluorophenyl)methyl]-2-methoxybenzamide;2-methoxybenzoyl chloride
CID 167669044
1-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 52581023
N-[(3-fluorophenyl)methyl]-2-iodobenzamide
CID 46447840
2-(methoxymethyl)-N-[[3-[[[2-(methoxymethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
CID 121289726
2-[(5-methoxy-3-pyridinyl)sulfamoyl]-N-(2-methylbutyl)benzamide
CID 58924307
N-[(3-fluorophenyl)methyl]-3-hydroxy-2-methylbenzamide
CID 82795234

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoylmethyl]benzamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoylmethyl]benzamide (CID 91170176) is N-[(3-fluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoylmethyl]benzamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoylmethyl]benzamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoylmethyl]benzamide is COc1cncc(NS(=O)(=O)Cc2ccccc2C(=O)NCc2cccc(F)c2)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoylmethyl]benzamide?
The InChIKey is JJJIACDWHOIPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O4S/c1-29-19-10-18(12-23-13-19)25-30(27,28)14-16-6-2-3-8-20(16)21(26)24-11-15-5-4-7-17(22)9-15/h2-10,12-13,25H,11,14H2,1H3,(H,24,26).
What are the key properties of N-[(3-fluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoylmethyl]benzamide?
N-[(3-fluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoylmethyl]benzamide has a molecular weight of 429.47 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoylmethyl]benzamide is sourced from PubChem (CID 91170176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).