N-[cyano-(2,4-difluorophenyl)methyl]-4-(2-methoxyethylsulfamoyl)benzamide

C18H17F2N3O4S — CID 56537065

IUPACN-[cyano-(2,4-difluorophenyl)methyl]-4-(2-methoxyethylsulfamoyl)benzamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)NC(C#N)c2ccc(F)cc2F)cc1
InChIInChI=1S/C18H17F2N3O4S/c1-27-9-8-22-28(25,26)14-5-2-12(3-6-14)18(24)23-17(11-21)15-7-4-13(19)10-16(15)20/h2-7,10,17,22H,8-9H2,1H3,(H,23,24)
InChIKeyJZBAKDGZTSSAKT-UHFFFAOYSA-N
MW409.41 g/mol
LogP1.88
Rot. Bonds8

About N-[cyano-(2,4-difluorophenyl)methyl]-4-(2-methoxyethylsulfamoyl)benzamide

N-[cyano-(2,4-difluorophenyl)methyl]-4-(2-methoxyethylsulfamoyl)benzamide (PubChem CID 56537065) has the molecular formula C18H17F2N3O4S and a molecular weight of 409.41 g/mol. Its IUPAC name is N-[cyano-(2,4-difluorophenyl)methyl]-4-(2-methoxyethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[cyano-(2,4-difluorophenyl)methyl]-4-(2-methoxyethylsulfamoyl)benzamide
PubChem CID56537065
Molecular FormulaC18H17F2N3O4S
Molecular Weight409.41 g/mol
Exact Mass409.09
IUPAC NameN-[cyano-(2,4-difluorophenyl)methyl]-4-(2-methoxyethylsulfamoyl)benzamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)NC(C#N)c2ccc(F)cc2F)cc1
InChIInChI=1S/C18H17F2N3O4S/c1-27-9-8-22-28(25,26)14-5-2-12(3-6-14)18(24)23-17(11-21)15-7-4-13(19)10-16(15)20/h2-7,10,17,22H,8-9H2,1H3,(H,23,24)
InChIKeyJZBAKDGZTSSAKT-UHFFFAOYSA-N
XLogP1.88
TPSA108.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[cyano-(2,4-difluorophenyl)methyl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 56537296
N-[cyano-(2,4-difluorophenyl)methyl]-4-(2,5-dimethylpyrrol-1-yl)benzamide
CID 56584612
N-[cyano-(2,4-difluorophenyl)methyl]-4-phenylbenzamide
CID 56536876
4-(2-cyanoethylsulfamoyl)-N-[1-(2,5-difluorophenyl)ethyl]benzamide
CID 46591250
N-(2,4-difluorophenyl)-4-(3-methoxypropylsulfamoyl)benzamide
CID 109059952
3-(benzenesulfonamido)-N-[cyano-(2,4-difluorophenyl)methyl]benzamide
CID 56585745
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 55502416
N-[cyano-(2,4-difluorophenyl)methyl]-5-(diethylsulfamoyl)-2-fluorobenzamide
CID 56584375
N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 55652546
2,4-difluoro-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide
CID 108736020
N-(3-fluoro-4-methylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 17455377
N-[cyano-(2-fluorophenyl)methyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide
CID 56572373

Frequently Asked Questions

What is the IUPAC name of N-[cyano-(2,4-difluorophenyl)methyl]-4-(2-methoxyethylsulfamoyl)benzamide?
The IUPAC name of N-[cyano-(2,4-difluorophenyl)methyl]-4-(2-methoxyethylsulfamoyl)benzamide (CID 56537065) is N-[cyano-(2,4-difluorophenyl)methyl]-4-(2-methoxyethylsulfamoyl)benzamide.
What is the SMILES notation for N-[cyano-(2,4-difluorophenyl)methyl]-4-(2-methoxyethylsulfamoyl)benzamide?
The canonical SMILES for N-[cyano-(2,4-difluorophenyl)methyl]-4-(2-methoxyethylsulfamoyl)benzamide is COCCNS(=O)(=O)c1ccc(C(=O)NC(C#N)c2ccc(F)cc2F)cc1.
What is the InChIKey of N-[cyano-(2,4-difluorophenyl)methyl]-4-(2-methoxyethylsulfamoyl)benzamide?
The InChIKey is JZBAKDGZTSSAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O4S/c1-27-9-8-22-28(25,26)14-5-2-12(3-6-14)18(24)23-17(11-21)15-7-4-13(19)10-16(15)20/h2-7,10,17,22H,8-9H2,1H3,(H,23,24).
What are the key properties of N-[cyano-(2,4-difluorophenyl)methyl]-4-(2-methoxyethylsulfamoyl)benzamide?
N-[cyano-(2,4-difluorophenyl)methyl]-4-(2-methoxyethylsulfamoyl)benzamide has a molecular weight of 409.41 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano-(2,4-difluorophenyl)methyl]-4-(2-methoxyethylsulfamoyl)benzamide is sourced from PubChem (CID 56537065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).