N-[(4-bromo-2-fluorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]acetamide

C16H16BrFN2O3S — CID 71696138

IUPACN-[(4-bromo-2-fluorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)NCc2ccc(Br)cc2F)cc1
InChIInChI=1S/C16H16BrFN2O3S/c1-11-2-6-14(7-3-11)24(22,23)20-10-16(21)19-9-12-4-5-13(17)8-15(12)18/h2-8,20H,9-10H2,1H3,(H,19,21)
InChIKeyMHVIDTZXQDHLII-UHFFFAOYSA-N
MW415.28 g/mol
LogP2.49
Rot. Bonds6

About N-[(4-bromo-2-fluorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]acetamide

N-[(4-bromo-2-fluorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]acetamide (PubChem CID 71696138) has the molecular formula C16H16BrFN2O3S and a molecular weight of 415.28 g/mol. Its IUPAC name is N-[(4-bromo-2-fluorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[(4-bromo-2-fluorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]acetamide
PubChem CID71696138
Molecular FormulaC16H16BrFN2O3S
Molecular Weight415.28 g/mol
Exact Mass414.00
IUPAC NameN-[(4-bromo-2-fluorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)NCc2ccc(Br)cc2F)cc1
InChIInChI=1S/C16H16BrFN2O3S/c1-11-2-6-14(7-3-11)24(22,23)20-10-16(21)19-9-12-4-5-13(17)8-15(12)18/h2-8,20H,9-10H2,1H3,(H,19,21)
InChIKeyMHVIDTZXQDHLII-UHFFFAOYSA-N
XLogP2.49
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.28
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]acetamide (CID 71696138) is N-[(4-bromo-2-fluorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[(4-bromo-2-fluorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[(4-bromo-2-fluorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]acetamide is Cc1ccc(S(=O)(=O)NCC(=O)NCc2ccc(Br)cc2F)cc1.
What is the InChIKey of N-[(4-bromo-2-fluorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]acetamide?
The InChIKey is MHVIDTZXQDHLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2O3S/c1-11-2-6-14(7-3-11)24(22,23)20-10-16(21)19-9-12-4-5-13(17)8-15(12)18/h2-8,20H,9-10H2,1H3,(H,19,21).
What are the key properties of N-[(4-bromo-2-fluorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]acetamide?
N-[(4-bromo-2-fluorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]acetamide has a molecular weight of 415.28 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-fluorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 71696138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).