N-[4-bromo-3-(trifluoromethyl)phenyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide

C16H14BrF3N2O4S — CID 24637623

IUPACN-[4-bromo-3-(trifluoromethyl)phenyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H14BrF3N2O4S/c1-26-11-3-5-12(6-4-11)27(24,25)21-9-15(23)22-10-2-7-14(17)13(8-10)16(18,19)20/h2-8,21H,9H2,1H3,(H,22,23)
InChIKeyJNTZTTPXPRPBPS-UHFFFAOYSA-N
MW467.26 g/mol
LogP3.39
Rot. Bonds6

About N-[4-bromo-3-(trifluoromethyl)phenyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide

N-[4-bromo-3-(trifluoromethyl)phenyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide (PubChem CID 24637623) has the molecular formula C16H14BrF3N2O4S and a molecular weight of 467.26 g/mol. Its IUPAC name is N-[4-bromo-3-(trifluoromethyl)phenyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[4-bromo-3-(trifluoromethyl)phenyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide
PubChem CID24637623
Molecular FormulaC16H14BrF3N2O4S
Molecular Weight467.26 g/mol
Exact Mass465.98
IUPAC NameN-[4-bromo-3-(trifluoromethyl)phenyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H14BrF3N2O4S/c1-26-11-3-5-12(6-4-11)27(24,25)21-9-15(23)22-10-2-7-14(17)13(8-10)16(18,19)20/h2-8,21H,9H2,1H3,(H,22,23)
InChIKeyJNTZTTPXPRPBPS-UHFFFAOYSA-N
XLogP3.39
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.26
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-bromo-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide
CID 3858047
N-[4-bromo-3-(trifluoromethyl)phenyl]-4-(4-methoxyphenoxy)butanamide
CID 18228282
N-(3-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonylamino]acetamide
CID 26584175
methyl 4-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]amino]benzoate
CID 24639142
N-(4-bromo-3-methylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]acetamide
CID 78784962
N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-methoxyphenyl)sulfonylamino]acetamide
CID 24637643
2-[(4-chlorophenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 126151161
N-(4-methoxyphenyl)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide
CID 112998764
N-(4-methoxyphenyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide
CID 112998738
2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 112998742
2-[(4-acetamidophenyl)sulfonylamino]-N-(3-methoxyphenyl)acetamide
CID 112998688
2-[(4-bromophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 126155694

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-3-(trifluoromethyl)phenyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide?
The IUPAC name of N-[4-bromo-3-(trifluoromethyl)phenyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide (CID 24637623) is N-[4-bromo-3-(trifluoromethyl)phenyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[4-bromo-3-(trifluoromethyl)phenyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[4-bromo-3-(trifluoromethyl)phenyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide is COc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)cc1.
What is the InChIKey of N-[4-bromo-3-(trifluoromethyl)phenyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide?
The InChIKey is JNTZTTPXPRPBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrF3N2O4S/c1-26-11-3-5-12(6-4-11)27(24,25)21-9-15(23)22-10-2-7-14(17)13(8-10)16(18,19)20/h2-8,21H,9H2,1H3,(H,22,23).
What are the key properties of N-[4-bromo-3-(trifluoromethyl)phenyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide?
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide has a molecular weight of 467.26 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-3-(trifluoromethyl)phenyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 24637623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).