2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2,4-difluorophenyl)acetamide

C21H17BrF2N2O3S — CID 126030529

IUPAC2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2,4-difluorophenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)cc2F)c2cccc(Br)c2)cc1
InChIInChI=1S/C21H17BrF2N2O3S/c1-14-5-8-18(9-6-14)30(28,29)26(17-4-2-3-15(22)11-17)13-21(27)25-20-10-7-16(23)12-19(20)24/h2-12H,13H2,1H3,(H,25,27)
InChIKeyFTDSNSCQROAGOA-UHFFFAOYSA-N
MW495.35 g/mol
LogP4.87
Rot. Bonds6

About 2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2,4-difluorophenyl)acetamide

2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2,4-difluorophenyl)acetamide (PubChem CID 126030529) has the molecular formula C21H17BrF2N2O3S and a molecular weight of 495.35 g/mol. Its IUPAC name is 2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2,4-difluorophenyl)acetamide
PubChem CID126030529
Molecular FormulaC21H17BrF2N2O3S
Molecular Weight495.35 g/mol
Exact Mass494.01
IUPAC Name2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2,4-difluorophenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)cc2F)c2cccc(Br)c2)cc1
InChIInChI=1S/C21H17BrF2N2O3S/c1-14-5-8-18(9-6-14)30(28,29)26(17-4-2-3-15(22)11-17)13-21(27)25-20-10-7-16(23)12-19(20)24/h2-12H,13H2,1H3,(H,25,27)
InChIKeyFTDSNSCQROAGOA-UHFFFAOYSA-N
XLogP4.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.35
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(4-bromo-2-fluorophenyl)acetamide
CID 126258294
2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(4-bromophenyl)acetamide
CID 43891649
N-(4-bromo-2-fluorophenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126320797
2-[N-(benzenesulfonyl)anilino]-N-(4-bromo-2-fluorophenyl)acetamide
CID 26565252
2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 30171324
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(4-bromo-2-fluorophenyl)acetamide
CID 21371746
2-[N-(benzenesulfonyl)-3-nitroanilino]-N-(2,4-difluorophenyl)acetamide
CID 1317979
2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,4-difluorophenyl)acetamide
CID 53279384
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(2-bromo-4-methylphenyl)acetamide
CID 26565833
N-(4-bromo-2-fluorophenyl)-2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-fluoroanilino]acetamide
CID 43900067
N-(2,4-dimethylphenyl)-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1334839
N-(2,4-dimethylphenyl)-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 30258134

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2,4-difluorophenyl)acetamide?
The IUPAC name of 2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2,4-difluorophenyl)acetamide (CID 126030529) is 2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2,4-difluorophenyl)acetamide?
The canonical SMILES for 2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2,4-difluorophenyl)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)cc2F)c2cccc(Br)c2)cc1.
What is the InChIKey of 2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2,4-difluorophenyl)acetamide?
The InChIKey is FTDSNSCQROAGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrF2N2O3S/c1-14-5-8-18(9-6-14)30(28,29)26(17-4-2-3-15(22)11-17)13-21(27)25-20-10-7-16(23)12-19(20)24/h2-12H,13H2,1H3,(H,25,27).
What are the key properties of 2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2,4-difluorophenyl)acetamide?
2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2,4-difluorophenyl)acetamide has a molecular weight of 495.35 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 126030529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).