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

C14H13BrClFN4O3S — CID 22516468

IUPAC2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(3-chloro-4-fluorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C14H13BrClFN4O3S/c1-21(25(23,24)12-4-8(15)6-19-14(12)18)7-13(22)20-9-2-3-11(17)10(16)5-9/h2-6H,7H2,1H3,(H2,18,19)(H,20,22)
InChIKeyNTZNEKLNRSTJJL-UHFFFAOYSA-N
MW451.71 g/mol
LogP2.48
Rot. Bonds5

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

2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(3-chloro-4-fluorophenyl)acetamide (PubChem CID 22516468) has the molecular formula C14H13BrClFN4O3S and a molecular weight of 451.71 g/mol. Its IUPAC name is 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(3-chloro-4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(3-chloro-4-fluorophenyl)acetamide
PubChem CID22516468
Molecular FormulaC14H13BrClFN4O3S
Molecular Weight451.71 g/mol
Exact Mass449.96
IUPAC Name2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(3-chloro-4-fluorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C14H13BrClFN4O3S/c1-21(25(23,24)12-4-8(15)6-19-14(12)18)7-13(22)20-9-2-3-11(17)10(16)5-9/h2-6H,7H2,1H3,(H2,18,19)(H,20,22)
InChIKeyNTZNEKLNRSTJJL-UHFFFAOYSA-N
XLogP2.48
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.71
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(3-chloro-4-fluorophenyl)acetamide?
The IUPAC name of 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(3-chloro-4-fluorophenyl)acetamide (CID 22516468) is 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(3-chloro-4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(3-chloro-4-fluorophenyl)acetamide?
The canonical SMILES for 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(3-chloro-4-fluorophenyl)acetamide is CN(CC(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1cc(Br)cnc1N.
What is the InChIKey of 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(3-chloro-4-fluorophenyl)acetamide?
The InChIKey is NTZNEKLNRSTJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClFN4O3S/c1-21(25(23,24)12-4-8(15)6-19-14(12)18)7-13(22)20-9-2-3-11(17)10(16)5-9/h2-6H,7H2,1H3,(H2,18,19)(H,20,22).
What are the key properties of 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(3-chloro-4-fluorophenyl)acetamide?
2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(3-chloro-4-fluorophenyl)acetamide has a molecular weight of 451.71 g/mol, XLogP of 2.48, 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-(3-chloro-4-fluorophenyl)acetamide is sourced from PubChem (CID 22516468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).