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

C15H16Br2N4O3S — CID 5070903

IUPAC2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(4-bromo-3-methylphenyl)acetamide
SMILESCc1cc(NC(=O)CN(C)S(=O)(=O)c2cc(Br)cnc2N)ccc1Br
InChIInChI=1S/C15H16Br2N4O3S/c1-9-5-11(3-4-12(9)17)20-14(22)8-21(2)25(23,24)13-6-10(16)7-19-15(13)18/h3-7H,8H2,1-2H3,(H2,18,19)(H,20,22)
InChIKeyRYDXTQPWLJUTEW-UHFFFAOYSA-N
MW492.19 g/mol
LogP2.76
Rot. Bonds5

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

2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(4-bromo-3-methylphenyl)acetamide (PubChem CID 5070903) has the molecular formula C15H16Br2N4O3S and a molecular weight of 492.19 g/mol. Its IUPAC name is 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(4-bromo-3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(4-bromo-3-methylphenyl)acetamide
PubChem CID5070903
Molecular FormulaC15H16Br2N4O3S
Molecular Weight492.19 g/mol
Exact Mass489.93
IUPAC Name2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(4-bromo-3-methylphenyl)acetamide
SMILESCc1cc(NC(=O)CN(C)S(=O)(=O)c2cc(Br)cnc2N)ccc1Br
InChIInChI=1S/C15H16Br2N4O3S/c1-9-5-11(3-4-12(9)17)20-14(22)8-21(2)25(23,24)13-6-10(16)7-19-15(13)18/h3-7H,8H2,1-2H3,(H2,18,19)(H,20,22)
InChIKeyRYDXTQPWLJUTEW-UHFFFAOYSA-N
XLogP2.76
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.19
LogP ≤ 52.76
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-(4-bromo-3-methylphenyl)acetamide?
The IUPAC name of 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(4-bromo-3-methylphenyl)acetamide (CID 5070903) is 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(4-bromo-3-methylphenyl)acetamide.
What is the SMILES notation for 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(4-bromo-3-methylphenyl)acetamide?
The canonical SMILES for 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(4-bromo-3-methylphenyl)acetamide is Cc1cc(NC(=O)CN(C)S(=O)(=O)c2cc(Br)cnc2N)ccc1Br.
What is the InChIKey of 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(4-bromo-3-methylphenyl)acetamide?
The InChIKey is RYDXTQPWLJUTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Br2N4O3S/c1-9-5-11(3-4-12(9)17)20-14(22)8-21(2)25(23,24)13-6-10(16)7-19-15(13)18/h3-7H,8H2,1-2H3,(H2,18,19)(H,20,22).
What are the key properties of 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(4-bromo-3-methylphenyl)acetamide?
2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(4-bromo-3-methylphenyl)acetamide has a molecular weight of 492.19 g/mol, XLogP of 2.76, 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-bromo-3-methylphenyl)acetamide is sourced from PubChem (CID 5070903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).