2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide

C23H21BrClFN2O3S — CID 100794637

IUPAC2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccccc1F)C(=O)CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C23H21BrClFN2O3S/c1-27(14-18-7-3-5-9-22(18)26)23(29)16-28(15-17-6-2-4-8-21(17)25)32(30,31)20-12-10-19(24)11-13-20/h2-13H,14-16H2,1H3
InChIKeyWWTYGLJXDJCBRM-UHFFFAOYSA-N
MW539.85 g/mol
LogP5.09
Rot. Bonds8

About 2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide

2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide (PubChem CID 100794637) has the molecular formula C23H21BrClFN2O3S and a molecular weight of 539.85 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
PubChem CID100794637
Molecular FormulaC23H21BrClFN2O3S
Molecular Weight539.85 g/mol
Exact Mass538.01
IUPAC Name2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccccc1F)C(=O)CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C23H21BrClFN2O3S/c1-27(14-18-7-3-5-9-22(18)26)23(29)16-28(15-17-6-2-4-8-21(17)25)32(30,31)20-12-10-19(24)11-13-20/h2-13H,14-16H2,1H3
InChIKeyWWTYGLJXDJCBRM-UHFFFAOYSA-N
XLogP5.09
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.85
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 100790660
2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(4-chlorophenyl)acetamide
CID 126204931
2-(4-bromophenyl)-N-[(2-chlorophenyl)methyl]-N-methylacetamide
CID 55328984
2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide
CID 126212387
4-[(4-bromophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]butanoate
CID 3701532
2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-(4-methoxyphenyl)-N-methylacetamide
CID 100792531
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-(2-ethoxyphenyl)acetamide
CID 126204078
2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(3-methoxypropyl)acetamide
CID 126209307
N-(4-bromo-2,6-diethylphenyl)-2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]acetamide
CID 100797750
N-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-methylacetamide
CID 100792620
N-(3-acetylphenyl)-2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]acetamide
CID 126213564

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide (CID 100794637) is 2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide is CN(Cc1ccccc1F)C(=O)CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
The InChIKey is WWTYGLJXDJCBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrClFN2O3S/c1-27(14-18-7-3-5-9-22(18)26)23(29)16-28(15-17-6-2-4-8-21(17)25)32(30,31)20-12-10-19(24)11-13-20/h2-13H,14-16H2,1H3.
What are the key properties of 2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide has a molecular weight of 539.85 g/mol, XLogP of 5.09, 8 rotatable bonds, 0 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-fluorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 100794637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).