2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]acetamide

C23H21BrClFN2O3S — CID 43906174

IUPAC2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]acetamide
SMILESCC(NC(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C23H21BrClFN2O3S/c1-16(18-4-10-21(26)11-5-18)27-23(29)15-28(14-17-2-6-19(24)7-3-17)32(30,31)22-12-8-20(25)9-13-22/h2-13,16H,14-15H2,1H3,(H,27,29)
InChIKeyWWEUGFVTRPNDGQ-UHFFFAOYSA-N
MW539.85 g/mol
LogP5.31
Rot. Bonds8

About 2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]acetamide

2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]acetamide (PubChem CID 43906174) has the molecular formula C23H21BrClFN2O3S and a molecular weight of 539.85 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]acetamide
PubChem CID43906174
Molecular FormulaC23H21BrClFN2O3S
Molecular Weight539.85 g/mol
Exact Mass538.01
IUPAC Name2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]acetamide
SMILESCC(NC(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C23H21BrClFN2O3S/c1-16(18-4-10-21(26)11-5-18)27-23(29)15-28(14-17-2-6-19(24)7-3-17)32(30,31)22-12-8-20(25)9-13-22/h2-13,16H,14-15H2,1H3,(H,27,29)
InChIKeyWWEUGFVTRPNDGQ-UHFFFAOYSA-N
XLogP5.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.85
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]acetamide
CID 43871903
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401160
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]acetamide
CID 28544752
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(1S)-1-phenylethyl]acetamide
CID 2293122
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28544794
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401044
N-[1-(4-bromophenyl)ethyl]-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide
CID 43872619
2-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43872175
2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401134
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)acetamide
CID 2878766
2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 94861292
2-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N-[(2S)-pentan-2-yl]acetamide
CID 126322107

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]acetamide (CID 43906174) is 2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]acetamide is CC(NC(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is WWEUGFVTRPNDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrClFN2O3S/c1-16(18-4-10-21(26)11-5-18)27-23(29)15-28(14-17-2-6-19(24)7-3-17)32(30,31)22-12-8-20(25)9-13-22/h2-13,16H,14-15H2,1H3,(H,27,29).
What are the key properties of 2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]acetamide?
2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 539.85 g/mol, XLogP of 5.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 43906174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).