2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide

C21H16BrClF2N2O3S — CID 126212387

IUPAC2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide
SMILESO=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1)Nc1ccc(F)cc1F
InChIInChI=1S/C21H16BrClF2N2O3S/c22-15-5-8-17(9-6-15)31(29,30)27(12-14-3-1-2-4-18(14)23)13-21(28)26-20-10-7-16(24)11-19(20)25/h1-11H,12-13H2,(H,26,28)
InChIKeyMTLVOJUGQMMINK-UHFFFAOYSA-N
MW529.79 g/mol
LogP5.21
Rot. Bonds7

About 2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide

2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide (PubChem CID 126212387) has the molecular formula C21H16BrClF2N2O3S and a molecular weight of 529.79 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide
PubChem CID126212387
Molecular FormulaC21H16BrClF2N2O3S
Molecular Weight529.79 g/mol
Exact Mass527.97
IUPAC Name2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide
SMILESO=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1)Nc1ccc(F)cc1F
InChIInChI=1S/C21H16BrClF2N2O3S/c22-15-5-8-17(9-6-15)31(29,30)27(12-14-3-1-2-4-18(14)23)13-21(28)26-20-10-7-16(24)11-19(20)25/h1-11H,12-13H2,(H,26,28)
InChIKeyMTLVOJUGQMMINK-UHFFFAOYSA-N
XLogP5.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.79
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide
CID 126199806
2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(4-chlorophenyl)acetamide
CID 126204931
2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(2,5-dimethylphenyl)acetamide
CID 126201169
2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(2-ethoxyphenyl)acetamide
CID 126204078
2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(4-fluorophenyl)acetamide
CID 1284016
2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 126371863
2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 126210472
N-(3-acetylphenyl)-2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]acetamide
CID 126213564
2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(4-chloro-2-methylphenyl)acetamide
CID 126371814
2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-(2,5-difluorophenyl)acetamide
CID 28545696
2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(2,4,5-trichlorophenyl)acetamide
CID 21372976
2-[(2-chlorophenyl)methyl-(4-fluorophenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 26055291

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide (CID 126212387) is 2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide is O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1)Nc1ccc(F)cc1F.
What is the InChIKey of 2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide?
The InChIKey is MTLVOJUGQMMINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrClF2N2O3S/c22-15-5-8-17(9-6-15)31(29,30)27(12-14-3-1-2-4-18(14)23)13-21(28)26-20-10-7-16(24)11-19(20)25/h1-11H,12-13H2,(H,26,28).
What are the key properties of 2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide?
2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide has a molecular weight of 529.79 g/mol, XLogP of 5.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 126212387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).