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

C21H19F2N3O4S — CID 58924145

IUPACN-[2-(2,5-difluorophenyl)ethyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide
SMILESCOc1cncc(NS(=O)(=O)c2ccccc2C(=O)NCCc2cc(F)ccc2F)c1
InChIInChI=1S/C21H19F2N3O4S/c1-30-17-11-16(12-24-13-17)26-31(28,29)20-5-3-2-4-18(20)21(27)25-9-8-14-10-15(22)6-7-19(14)23/h2-7,10-13,26H,8-9H2,1H3,(H,25,27)
InChIKeyBKFRLCHKKFLSFV-UHFFFAOYSA-N
MW447.46 g/mol
LogP3.14
Rot. Bonds8

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

N-[2-(2,5-difluorophenyl)ethyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide (PubChem CID 58924145) has the molecular formula C21H19F2N3O4S and a molecular weight of 447.46 g/mol. Its IUPAC name is N-[2-(2,5-difluorophenyl)ethyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[2-(2,5-difluorophenyl)ethyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide
PubChem CID58924145
Molecular FormulaC21H19F2N3O4S
Molecular Weight447.46 g/mol
Exact Mass447.11
IUPAC NameN-[2-(2,5-difluorophenyl)ethyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide
SMILESCOc1cncc(NS(=O)(=O)c2ccccc2C(=O)NCCc2cc(F)ccc2F)c1
InChIInChI=1S/C21H19F2N3O4S/c1-30-17-11-16(12-24-13-17)26-31(28,29)20-5-3-2-4-18(20)21(27)25-9-8-14-10-15(22)6-7-19(14)23/h2-7,10-13,26H,8-9H2,1H3,(H,25,27)
InChIKeyBKFRLCHKKFLSFV-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-chlorophenyl)ethyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide
CID 58924321
N-[(2,3-difluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide
CID 58924343
N-[(3,4-difluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide
CID 58924121
2-[(5-methoxy-3-pyridinyl)sulfamoyl]-N-(2-methylbutyl)benzamide
CID 58924307
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-ethyl-2-[(5-methoxy-3-pyridinyl)sulfamoyl]-N-propylbenzamide
CID 58924348
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
2-[(5-methoxy-3-pyridinyl)sulfamoyl]-N-methyl-N-(2-phenoxyethyl)benzamide
CID 58924319
N-[(3-fluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoylmethyl]benzamide
CID 91170176
N-[2-(2,5-difluorophenyl)ethyl]-4-methoxybenzamide
CID 110788169

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-difluorophenyl)ethyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide?
The IUPAC name of N-[2-(2,5-difluorophenyl)ethyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide (CID 58924145) is N-[2-(2,5-difluorophenyl)ethyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[2-(2,5-difluorophenyl)ethyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide?
The canonical SMILES for N-[2-(2,5-difluorophenyl)ethyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide is COc1cncc(NS(=O)(=O)c2ccccc2C(=O)NCCc2cc(F)ccc2F)c1.
What is the InChIKey of N-[2-(2,5-difluorophenyl)ethyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide?
The InChIKey is BKFRLCHKKFLSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O4S/c1-30-17-11-16(12-24-13-17)26-31(28,29)20-5-3-2-4-18(20)21(27)25-9-8-14-10-15(22)6-7-19(14)23/h2-7,10-13,26H,8-9H2,1H3,(H,25,27).
What are the key properties of N-[2-(2,5-difluorophenyl)ethyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide?
N-[2-(2,5-difluorophenyl)ethyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide has a molecular weight of 447.46 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-difluorophenyl)ethyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide is sourced from PubChem (CID 58924145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).