2-(difluoromethoxy)-N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]benzamide

C18H21F2N3O4S — CID 25346203

IUPAC2-(difluoromethoxy)-N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]benzamide
SMILESCCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C18H21F2N3O4S/c1-4-21-14-10-9-12(28(25,26)23(2)3)11-15(14)22-17(24)13-7-5-6-8-16(13)27-18(19)20/h5-11,18,21H,4H2,1-3H3,(H,22,24)
InChIKeyXTBZJXFMWPCBOC-UHFFFAOYSA-N
MW413.45 g/mol
LogP3.22
Rot. Bonds8

About 2-(difluoromethoxy)-N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]benzamide

2-(difluoromethoxy)-N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]benzamide (PubChem CID 25346203) has the molecular formula C18H21F2N3O4S and a molecular weight of 413.45 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]benzamide
PubChem CID25346203
Molecular FormulaC18H21F2N3O4S
Molecular Weight413.45 g/mol
Exact Mass413.12
IUPAC Name2-(difluoromethoxy)-N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]benzamide
SMILESCCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C18H21F2N3O4S/c1-4-21-14-10-9-12(28(25,26)23(2)3)11-15(14)22-17(24)13-7-5-6-8-16(13)27-18(19)20/h5-11,18,21H,4H2,1-3H3,(H,22,24)
InChIKeyXTBZJXFMWPCBOC-UHFFFAOYSA-N
XLogP3.22
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.45
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(difluoromethoxy)-N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]benzamide
CID 25332133
N-[3-(diethylsulfamoyl)phenyl]-2-(difluoromethoxy)benzamide
CID 8883724
2-(difluoromethoxy)-N-ethylbenzamide
CID 60644731
2-chloro-N-[2-(difluoromethoxy)phenyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55332147
methyl 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetate
CID 24541409
N-(4-bromo-2-fluorophenyl)-2-(difluoromethoxy)benzamide
CID 26362983
4-amino-N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]butanamide
CID 119266545
N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]-2-(4-methylphenyl)acetamide
CID 25343989
N-[2-(difluoromethoxy)phenyl]-2-ethoxybenzamide
CID 17394090
2-(difluoromethoxy)-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 34174804
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,4-dimethylbenzamide
CID 78848190
4-(difluoromethoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 7921725

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]benzamide?
The IUPAC name of 2-(difluoromethoxy)-N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]benzamide (CID 25346203) is 2-(difluoromethoxy)-N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]benzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]benzamide is CCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccccc1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]benzamide?
The InChIKey is XTBZJXFMWPCBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O4S/c1-4-21-14-10-9-12(28(25,26)23(2)3)11-15(14)22-17(24)13-7-5-6-8-16(13)27-18(19)20/h5-11,18,21H,4H2,1-3H3,(H,22,24).
What are the key properties of 2-(difluoromethoxy)-N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]benzamide?
2-(difluoromethoxy)-N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]benzamide has a molecular weight of 413.45 g/mol, XLogP of 3.22, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]benzamide is sourced from PubChem (CID 25346203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).