N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-3-(dimethylsulfamoyl)benzamide

C17H17F2N3O4S — CID 9359895

IUPACN-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-3-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)N/N=C\c2ccccc2OC(F)F)c1
InChIInChI=1S/C17H17F2N3O4S/c1-22(2)27(24,25)14-8-5-7-12(10-14)16(23)21-20-11-13-6-3-4-9-15(13)26-17(18)19/h3-11,17H,1-2H3,(H,21,23)/b20-11-
InChIKeyFJCGTHCDVAJIHO-JAIQZWGSSA-N
MW397.40 g/mol
LogP2.30
Rot. Bonds7

About N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-3-(dimethylsulfamoyl)benzamide

N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-3-(dimethylsulfamoyl)benzamide (PubChem CID 9359895) has the molecular formula C17H17F2N3O4S and a molecular weight of 397.40 g/mol. Its IUPAC name is N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-3-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-3-(dimethylsulfamoyl)benzamide
PubChem CID9359895
Molecular FormulaC17H17F2N3O4S
Molecular Weight397.40 g/mol
Exact Mass397.09
IUPAC NameN-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-3-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)N/N=C\c2ccccc2OC(F)F)c1
InChIInChI=1S/C17H17F2N3O4S/c1-22(2)27(24,25)14-8-5-7-12(10-14)16(23)21-20-11-13-6-3-4-9-15(13)26-17(18)19/h3-11,17H,1-2H3,(H,21,23)/b20-11-
InChIKeyFJCGTHCDVAJIHO-JAIQZWGSSA-N
XLogP2.30
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(dimethylsulfamoyl)-N-[(Z)-naphthalen-2-ylmethylideneamino]benzamide
CID 9359854
methyl 4-[(Z)-[[3-(dimethylsulfamoyl)benzoyl]hydrazinylidene]methyl]benzoate
CID 9360011
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-(dimethylsulfamoyl)benzamide
CID 9359899
3-(dimethylsulfamoyl)-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide
CID 9359955
N-[(Z)-(4-bromophenyl)methylideneamino]-3-(dimethylsulfamoyl)benzamide
CID 9359889
4-chloro-N-[[2-(difluoromethoxy)phenyl]methylideneamino]benzamide
CID 2691883
N-[[2-(difluoromethoxy)phenyl]methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 2594194
N-[[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-3-[(3-chlorophenyl)sulfamoyl]benzamide
CID 2435500
N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-3,4,5-trimethoxybenzamide
CID 9231738
N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-3-(difluoromethylsulfonyl)-4-(4-methoxyanilino)benzamide
CID 6882597
N-[[2-(difluoromethoxy)-5-nitrophenyl]methylideneamino]benzamide
CID 3325601
3-nitro-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 6305635

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-3-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-3-(dimethylsulfamoyl)benzamide (CID 9359895) is N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-3-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-3-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-3-(dimethylsulfamoyl)benzamide is CN(C)S(=O)(=O)c1cccc(C(=O)N/N=C\c2ccccc2OC(F)F)c1.
What is the InChIKey of N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-3-(dimethylsulfamoyl)benzamide?
The InChIKey is FJCGTHCDVAJIHO-JAIQZWGSSA-N. The full InChI is InChI=1S/C17H17F2N3O4S/c1-22(2)27(24,25)14-8-5-7-12(10-14)16(23)21-20-11-13-6-3-4-9-15(13)26-17(18)19/h3-11,17H,1-2H3,(H,21,23)/b20-11-.
What are the key properties of N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-3-(dimethylsulfamoyl)benzamide?
N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-3-(dimethylsulfamoyl)benzamide has a molecular weight of 397.40 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-3-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 9359895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).