N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-(ethylsulfamoyl)benzamide

C17H17F2N3O4S — CID 17490275

IUPACN-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-(ethylsulfamoyl)benzamide
SMILESCCNS(=O)(=O)c1cccc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C17H17F2N3O4S/c1-2-21-27(25,26)13-5-3-4-11(8-13)17(24)20-10-16(23)22-12-6-7-14(18)15(19)9-12/h3-9,21H,2,10H2,1H3,(H,20,24)(H,22,23)
InChIKeyBJPYUOMFGYLJTD-UHFFFAOYSA-N
MW397.40 g/mol
LogP1.63
Rot. Bonds7

About N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-(ethylsulfamoyl)benzamide

N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-(ethylsulfamoyl)benzamide (PubChem CID 17490275) has the molecular formula C17H17F2N3O4S and a molecular weight of 397.40 g/mol. Its IUPAC name is N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-(ethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-(ethylsulfamoyl)benzamide
PubChem CID17490275
Molecular FormulaC17H17F2N3O4S
Molecular Weight397.40 g/mol
Exact Mass397.09
IUPAC NameN-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-(ethylsulfamoyl)benzamide
SMILESCCNS(=O)(=O)c1cccc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C17H17F2N3O4S/c1-2-21-27(25,26)13-5-3-4-11(8-13)17(24)20-10-16(23)22-12-6-7-14(18)15(19)9-12/h3-9,21H,2,10H2,1H3,(H,20,24)(H,22,23)
InChIKeyBJPYUOMFGYLJTD-UHFFFAOYSA-N
XLogP1.63
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.40
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-(ethylsulfamoyl)benzamide?
The IUPAC name of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-(ethylsulfamoyl)benzamide (CID 17490275) is N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-(ethylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-(ethylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-(ethylsulfamoyl)benzamide is CCNS(=O)(=O)c1cccc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2)c1.
What is the InChIKey of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-(ethylsulfamoyl)benzamide?
The InChIKey is BJPYUOMFGYLJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O4S/c1-2-21-27(25,26)13-5-3-4-11(8-13)17(24)20-10-16(23)22-12-6-7-14(18)15(19)9-12/h3-9,21H,2,10H2,1H3,(H,20,24)(H,22,23).
What are the key properties of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-(ethylsulfamoyl)benzamide?
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-(ethylsulfamoyl)benzamide has a molecular weight of 397.40 g/mol, XLogP of 1.63, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-(ethylsulfamoyl)benzamide is sourced from PubChem (CID 17490275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).