2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(4-bromo-2-fluorophenyl)acetamide

C17H17BrFN3O4S — CID 2711536

IUPAC2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(4-bromo-2-fluorophenyl)acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(Br)cc2F)cc1
InChIInChI=1S/C17H17BrFN3O4S/c1-11(23)20-13-4-6-14(7-5-13)27(25,26)22(2)10-17(24)21-16-8-3-12(18)9-15(16)19/h3-9H,10H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyVAHRTEGFZUUPHY-UHFFFAOYSA-N
MW458.31 g/mol
LogP2.81
Rot. Bonds6

About 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(4-bromo-2-fluorophenyl)acetamide

2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(4-bromo-2-fluorophenyl)acetamide (PubChem CID 2711536) has the molecular formula C17H17BrFN3O4S and a molecular weight of 458.31 g/mol. Its IUPAC name is 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(4-bromo-2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(4-bromo-2-fluorophenyl)acetamide
PubChem CID2711536
Molecular FormulaC17H17BrFN3O4S
Molecular Weight458.31 g/mol
Exact Mass457.01
IUPAC Name2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(4-bromo-2-fluorophenyl)acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(Br)cc2F)cc1
InChIInChI=1S/C17H17BrFN3O4S/c1-11(23)20-13-4-6-14(7-5-13)27(25,26)22(2)10-17(24)21-16-8-3-12(18)9-15(16)19/h3-9H,10H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyVAHRTEGFZUUPHY-UHFFFAOYSA-N
XLogP2.81
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.31
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N~1~-(4-bromophenyl)-N~2~-cyclohexyl-N~2~-(methylsulfonyl)glycinamide
CID 1288007
2-{4-[(4-bromophenyl)sulfonyl]piperazin-1-yl}-N-(2,4-difluorophenyl)acetamide
CID 3236097
N-(4-bromophenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 3317983
N-(4-(((4-Bromophenyl)amino)sulfonyl)phenyl)acetamide
CID 984584
4-bromo-N-{2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethyl}benzenesulfonamide
CID 1006492
2-(N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 1007866
N-{4-[4-(4-Fluoro-phenyl)-piperazine-1-sulfonyl]-phenyl}-propionamide
CID 1091555
N-(4-bromophenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1141992
N~2~-(3-fluorophenyl)-N~2~-(methylsulfonyl)-N~1~-[4-(1-pyrrolidinylsulfonyl)phenyl]glycinamide
CID 1295250
(E)-N-(4-bromo-2-fluorophenyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide
CID 2087148
4-[benzenesulfonyl(methyl)amino]-N-(4-bromo-2-fluorophenyl)butanamide
CID 2216524
2-[(2-fluorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)acetamide
CID 2442131

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(4-bromo-2-fluorophenyl)acetamide?
The IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(4-bromo-2-fluorophenyl)acetamide (CID 2711536) is 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(4-bromo-2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(4-bromo-2-fluorophenyl)acetamide?
The canonical SMILES for 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(4-bromo-2-fluorophenyl)acetamide is CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(Br)cc2F)cc1.
What is the InChIKey of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(4-bromo-2-fluorophenyl)acetamide?
The InChIKey is VAHRTEGFZUUPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFN3O4S/c1-11(23)20-13-4-6-14(7-5-13)27(25,26)22(2)10-17(24)21-16-8-3-12(18)9-15(16)19/h3-9H,10H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(4-bromo-2-fluorophenyl)acetamide?
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(4-bromo-2-fluorophenyl)acetamide has a molecular weight of 458.31 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(4-bromo-2-fluorophenyl)acetamide is sourced from PubChem (CID 2711536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).