N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(2-methoxyethylsulfamoyl)benzamide

C18H20F2N2O5S — CID 55652546

IUPACN-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(2-methoxyethylsulfamoyl)benzamide
SMILESCOCCNS(=O)(=O)c1cccc(C(=O)NCC(O)c2ccc(F)cc2F)c1
InChIInChI=1S/C18H20F2N2O5S/c1-27-8-7-22-28(25,26)14-4-2-3-12(9-14)18(24)21-11-17(23)15-6-5-13(19)10-16(15)20/h2-6,9-10,17,22-23H,7-8,11H2,1H3,(H,21,24)
InChIKeyUHHSFTZNXNWYAP-UHFFFAOYSA-N
MW414.43 g/mol
LogP1.35
Rot. Bonds9

About N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(2-methoxyethylsulfamoyl)benzamide

N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(2-methoxyethylsulfamoyl)benzamide (PubChem CID 55652546) has the molecular formula C18H20F2N2O5S and a molecular weight of 414.43 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(2-methoxyethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(2-methoxyethylsulfamoyl)benzamide
PubChem CID55652546
Molecular FormulaC18H20F2N2O5S
Molecular Weight414.43 g/mol
Exact Mass414.11
IUPAC NameN-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(2-methoxyethylsulfamoyl)benzamide
SMILESCOCCNS(=O)(=O)c1cccc(C(=O)NCC(O)c2ccc(F)cc2F)c1
InChIInChI=1S/C18H20F2N2O5S/c1-27-8-7-22-28(25,26)14-4-2-3-12(9-14)18(24)21-11-17(23)15-6-5-13(19)10-16(15)20/h2-6,9-10,17,22-23H,7-8,11H2,1H3,(H,21,24)
InChIKeyUHHSFTZNXNWYAP-UHFFFAOYSA-N
XLogP1.35
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565687
N-(2-aminoethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 119382099
N-[2-(3-fluorophenoxy)ethyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 35101237
3-(2-methoxyethylsulfamoyl)-N-(3-methoxypropyl)benzamide
CID 55565589
N-(2-amino-2-phenylethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 119527433
N-[1-(4-fluorophenyl)ethyl]-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide
CID 134045496
N-[(4-chlorophenyl)methyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565294
N-[2-(ethylamino)ethyl]-3-(2-methoxyethylsulfamoyl)benzamide;hydrochloride
CID 119504724
N-[2-(dimethylamino)-2-oxoethyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565202
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(methylsulfamoyl)benzamide
CID 78866825
N-[1-(3,4-difluorophenyl)ethyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 134045494
N-(3-methoxypropyl)-3-(2-methylpropylsulfamoyl)benzamide
CID 109062648

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(2-methoxyethylsulfamoyl)benzamide?
The IUPAC name of N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(2-methoxyethylsulfamoyl)benzamide (CID 55652546) is N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(2-methoxyethylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(2-methoxyethylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(2-methoxyethylsulfamoyl)benzamide is COCCNS(=O)(=O)c1cccc(C(=O)NCC(O)c2ccc(F)cc2F)c1.
What is the InChIKey of N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(2-methoxyethylsulfamoyl)benzamide?
The InChIKey is UHHSFTZNXNWYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O5S/c1-27-8-7-22-28(25,26)14-4-2-3-12(9-14)18(24)21-11-17(23)15-6-5-13(19)10-16(15)20/h2-6,9-10,17,22-23H,7-8,11H2,1H3,(H,21,24).
What are the key properties of N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(2-methoxyethylsulfamoyl)benzamide?
N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(2-methoxyethylsulfamoyl)benzamide has a molecular weight of 414.43 g/mol, XLogP of 1.35, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(2-methoxyethylsulfamoyl)benzamide is sourced from PubChem (CID 55652546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).