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

C18H21F2N3O4S — CID 25332133

IUPAC4-(difluoromethoxy)-N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]benzamide
SMILESCCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C18H21F2N3O4S/c1-4-21-15-10-9-14(28(25,26)23(2)3)11-16(15)22-17(24)12-5-7-13(8-6-12)27-18(19)20/h5-11,18,21H,4H2,1-3H3,(H,22,24)
InChIKeyKHMHNNWLWQNSKR-UHFFFAOYSA-N
MW413.45 g/mol
LogP3.22
Rot. Bonds8

About 4-(difluoromethoxy)-N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]benzamide

4-(difluoromethoxy)-N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]benzamide (PubChem CID 25332133) has the molecular formula C18H21F2N3O4S and a molecular weight of 413.45 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]benzamide
PubChem CID25332133
Molecular FormulaC18H21F2N3O4S
Molecular Weight413.45 g/mol
Exact Mass413.12
IUPAC Name4-(difluoromethoxy)-N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]benzamide
SMILESCCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C18H21F2N3O4S/c1-4-21-15-10-9-14(28(25,26)23(2)3)11-16(15)22-17(24)12-5-7-13(8-6-12)27-18(19)20/h5-11,18,21H,4H2,1-3H3,(H,22,24)
InChIKeyKHMHNNWLWQNSKR-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-methoxyphenyl]benzamide
CID 7921725
2-(difluoromethoxy)-N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]benzamide
CID 25346203
4-amino-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]benzamide
CID 119680565
methyl 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetate
CID 24541409
4-[[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]sulfamoyl]benzoic acid
CID 24580673
N-[4-(difluoromethoxy)phenyl]-4-(ethylsulfamoyl)benzamide
CID 9405047
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-(trifluoromethoxy)benzamide
CID 3488603
4-amino-N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]butanamide
CID 119266545
N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]-2-(4-methylphenyl)acetamide
CID 25343989
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-fluorobenzamide
CID 7750677
4-(difluoromethoxy)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzamide
CID 26060041
N-[4-(difluoromethoxy)phenyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 34273541

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]benzamide?
The IUPAC name of 4-(difluoromethoxy)-N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]benzamide (CID 25332133) is 4-(difluoromethoxy)-N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]benzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]benzamide is CCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of 4-(difluoromethoxy)-N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]benzamide?
The InChIKey is KHMHNNWLWQNSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O4S/c1-4-21-15-10-9-14(28(25,26)23(2)3)11-16(15)22-17(24)12-5-7-13(8-6-12)27-18(19)20/h5-11,18,21H,4H2,1-3H3,(H,22,24).
What are the key properties of 4-(difluoromethoxy)-N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]benzamide?
4-(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 4-(difluoromethoxy)-N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]benzamide is sourced from PubChem (CID 25332133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).