N-(4-bromophenyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide

C21H18BrFN2O3S — CID 1362733

IUPACN-(4-bromophenyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide
SMILESCc1ccc(N(CC(=O)Nc2ccc(Br)cc2)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H18BrFN2O3S/c1-15-2-10-19(11-3-15)25(29(27,28)20-12-6-17(23)7-13-20)14-21(26)24-18-8-4-16(22)5-9-18/h2-13H,14H2,1H3,(H,24,26)
InChIKeyBJWYFFZXFPUOJC-UHFFFAOYSA-N
MW477.36 g/mol
LogP4.73
Rot. Bonds6

About N-(4-bromophenyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide

N-(4-bromophenyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide (PubChem CID 1362733) has the molecular formula C21H18BrFN2O3S and a molecular weight of 477.36 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide
PubChem CID1362733
Molecular FormulaC21H18BrFN2O3S
Molecular Weight477.36 g/mol
Exact Mass476.02
IUPAC NameN-(4-bromophenyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide
SMILESCc1ccc(N(CC(=O)Nc2ccc(Br)cc2)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H18BrFN2O3S/c1-15-2-10-19(11-3-15)25(29(27,28)20-12-6-17(23)7-13-20)14-21(26)24-18-8-4-16(22)5-9-18/h2-13H,14H2,1H3,(H,24,26)
InChIKeyBJWYFFZXFPUOJC-UHFFFAOYSA-N
XLogP4.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.36
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide (CID 1362733) is N-(4-bromophenyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide is Cc1ccc(N(CC(=O)Nc2ccc(Br)cc2)S(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide?
The InChIKey is BJWYFFZXFPUOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrFN2O3S/c1-15-2-10-19(11-3-15)25(29(27,28)20-12-6-17(23)7-13-20)14-21(26)24-18-8-4-16(22)5-9-18/h2-13H,14H2,1H3,(H,24,26).
What are the key properties of N-(4-bromophenyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide?
N-(4-bromophenyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide has a molecular weight of 477.36 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide is sourced from PubChem (CID 1362733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).