2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide

C14H14BrFN4O3S — CID 22516473

IUPAC2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)S(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C14H14BrFN4O3S/c1-20(8-13(21)19-11-4-2-10(16)3-5-11)24(22,23)12-6-9(15)7-18-14(12)17/h2-7H,8H2,1H3,(H2,17,18)(H,19,21)
InChIKeyQTAVVYHWMZFREL-UHFFFAOYSA-N
MW417.26 g/mol
LogP1.82
Rot. Bonds5

About 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide

2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide (PubChem CID 22516473) has the molecular formula C14H14BrFN4O3S and a molecular weight of 417.26 g/mol. Its IUPAC name is 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide
PubChem CID22516473
Molecular FormulaC14H14BrFN4O3S
Molecular Weight417.26 g/mol
Exact Mass416.00
IUPAC Name2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)S(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C14H14BrFN4O3S/c1-20(8-13(21)19-11-4-2-10(16)3-5-11)24(22,23)12-6-9(15)7-18-14(12)17/h2-7H,8H2,1H3,(H2,17,18)(H,19,21)
InChIKeyQTAVVYHWMZFREL-UHFFFAOYSA-N
XLogP1.82
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.26
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Acetylsulfapyridine
CID 58638
4-Bromo-N-(2-pyridyl)benzenesulfonamide
CID 786085
2-[(2-amino-5-bromo-3-pyridyl)sulfonyl-methyl-amino]-N-(4-isopropylphenyl)acetamide
CID 22516463
2-[(2-amino-5-bromo-3-pyridyl)sulfonyl-methyl-amino]-N-(3-chloro-4-fluoro-phenyl)acetamide
CID 22516468
N-{4-[(2-pyridylamino)sulfonyl]phenyl}propanamide
CID 725106
2,2,2-trifluoro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 977456
N-phenyl-2-[(phenylsulfonyl)(2-pyridinyl)amino]acetamide
CID 1475365
3-[(2-amino-5-bromo-3-pyridyl)sulfonylamino]-N-(3-chlorophenyl)propanamide
CID 3488944
2-[(2-amino-5-bromo-3-pyridyl)sulfonyl-methyl-amino]-N-(4-bromo-3-methyl-phenyl)acetamide
CID 5070903
2-[(4-bromophenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 1073019
N~2~-[(4-bromophenyl)sulfonyl]-N~2~-methyl-N~1~-4-pyridinylglycinamide
CID 1256095
2-[(4-fluorophenyl)sulfonyl-(2-pyridinyl)amino]-N-phenylacetamide
CID 1475369

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide (CID 22516473) is 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide is CN(CC(=O)Nc1ccc(F)cc1)S(=O)(=O)c1cc(Br)cnc1N.
What is the InChIKey of 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide?
The InChIKey is QTAVVYHWMZFREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN4O3S/c1-20(8-13(21)19-11-4-2-10(16)3-5-11)24(22,23)12-6-9(15)7-18-14(12)17/h2-7H,8H2,1H3,(H2,17,18)(H,19,21).
What are the key properties of 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide?
2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide has a molecular weight of 417.26 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 22516473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).