2-[(4-bromophenyl)sulfonyl-methylamino]-N-(3-fluoro-4-pyrazol-1-ylphenyl)acetamide

C18H16BrFN4O3S — CID 55892273

IUPAC2-[(4-bromophenyl)sulfonyl-methylamino]-N-(3-fluoro-4-pyrazol-1-ylphenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(-n2cccn2)c(F)c1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H16BrFN4O3S/c1-23(28(26,27)15-6-3-13(19)4-7-15)12-18(25)22-14-5-8-17(16(20)11-14)24-10-2-9-21-24/h2-11H,12H2,1H3,(H,22,25)
InChIKeyHIUKXDJHZSRTME-UHFFFAOYSA-N
MW467.32 g/mol
LogP3.03
Rot. Bonds6

About 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(3-fluoro-4-pyrazol-1-ylphenyl)acetamide

2-[(4-bromophenyl)sulfonyl-methylamino]-N-(3-fluoro-4-pyrazol-1-ylphenyl)acetamide (PubChem CID 55892273) has the molecular formula C18H16BrFN4O3S and a molecular weight of 467.32 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(3-fluoro-4-pyrazol-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonyl-methylamino]-N-(3-fluoro-4-pyrazol-1-ylphenyl)acetamide
PubChem CID55892273
Molecular FormulaC18H16BrFN4O3S
Molecular Weight467.32 g/mol
Exact Mass466.01
IUPAC Name2-[(4-bromophenyl)sulfonyl-methylamino]-N-(3-fluoro-4-pyrazol-1-ylphenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(-n2cccn2)c(F)c1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H16BrFN4O3S/c1-23(28(26,27)15-6-3-13(19)4-7-15)12-18(25)22-14-5-8-17(16(20)11-14)24-10-2-9-21-24/h2-11H,12H2,1H3,(H,22,25)
InChIKeyHIUKXDJHZSRTME-UHFFFAOYSA-N
XLogP3.03
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.32
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-bromophenyl)sulfonyl-methylamino]-N-(3-pyrazol-1-ylphenyl)acetamide
CID 55766018
2-[(4-bromophenyl)sulfonyl-methylamino]-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)acetamide
CID 55889160
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-pyrazol-1-ylphenyl)acetamide
CID 46975008
2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-(3-fluoro-4-imidazol-1-ylphenyl)acetamide
CID 55956292
N-[4-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]phenyl]-3-methylbutanamide
CID 38950843
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-methylbenzimidazol-5-yl)acetamide
CID 46975012
N-(3-fluoro-4-pyrazol-1-ylphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 55819755
N-(3-chloro-4-methylphenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 1319537
3-[[2-[benzenesulfonyl(methyl)amino]acetyl]amino]-N-(4-bromophenyl)propanamide
CID 55951462
N-(3,4-dichlorophenyl)-2-[(3,4-difluorophenyl)sulfonyl-methylamino]acetamide
CID 30329958
3-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-4-pyrazol-1-ylbenzenesulfonamide
CID 71907947
N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 9495307

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(3-fluoro-4-pyrazol-1-ylphenyl)acetamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(3-fluoro-4-pyrazol-1-ylphenyl)acetamide (CID 55892273) is 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(3-fluoro-4-pyrazol-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(3-fluoro-4-pyrazol-1-ylphenyl)acetamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(3-fluoro-4-pyrazol-1-ylphenyl)acetamide is CN(CC(=O)Nc1ccc(-n2cccn2)c(F)c1)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(3-fluoro-4-pyrazol-1-ylphenyl)acetamide?
The InChIKey is HIUKXDJHZSRTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrFN4O3S/c1-23(28(26,27)15-6-3-13(19)4-7-15)12-18(25)22-14-5-8-17(16(20)11-14)24-10-2-9-21-24/h2-11H,12H2,1H3,(H,22,25).
What are the key properties of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(3-fluoro-4-pyrazol-1-ylphenyl)acetamide?
2-[(4-bromophenyl)sulfonyl-methylamino]-N-(3-fluoro-4-pyrazol-1-ylphenyl)acetamide has a molecular weight of 467.32 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(3-fluoro-4-pyrazol-1-ylphenyl)acetamide is sourced from PubChem (CID 55892273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).