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

C15H16BrClN4O4S — CID 22516469

IUPAC2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(3-chloro-4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(Br)cnc2N)cc1Cl
InChIInChI=1S/C15H16BrClN4O4S/c1-21(26(23,24)13-5-9(16)7-19-15(13)18)8-14(22)20-10-3-4-12(25-2)11(17)6-10/h3-7H,8H2,1-2H3,(H2,18,19)(H,20,22)
InChIKeyVKUCSZWNAXJXMH-UHFFFAOYSA-N
MW463.74 g/mol
LogP2.35
Rot. Bonds6

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

2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(3-chloro-4-methoxyphenyl)acetamide (PubChem CID 22516469) has the molecular formula C15H16BrClN4O4S and a molecular weight of 463.74 g/mol. Its IUPAC name is 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(3-chloro-4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(3-chloro-4-methoxyphenyl)acetamide
PubChem CID22516469
Molecular FormulaC15H16BrClN4O4S
Molecular Weight463.74 g/mol
Exact Mass461.98
IUPAC Name2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(3-chloro-4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(Br)cnc2N)cc1Cl
InChIInChI=1S/C15H16BrClN4O4S/c1-21(26(23,24)13-5-9(16)7-19-15(13)18)8-14(22)20-10-3-4-12(25-2)11(17)6-10/h3-7H,8H2,1-2H3,(H2,18,19)(H,20,22)
InChIKeyVKUCSZWNAXJXMH-UHFFFAOYSA-N
XLogP2.35
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.74
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-methoxyphenyl)acetamide?
The IUPAC name of 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(3-chloro-4-methoxyphenyl)acetamide (CID 22516469) is 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(3-chloro-4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(3-chloro-4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(3-chloro-4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(Br)cnc2N)cc1Cl.
What is the InChIKey of 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(3-chloro-4-methoxyphenyl)acetamide?
The InChIKey is VKUCSZWNAXJXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN4O4S/c1-21(26(23,24)13-5-9(16)7-19-15(13)18)8-14(22)20-10-3-4-12(25-2)11(17)6-10/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-(3-chloro-4-methoxyphenyl)acetamide?
2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(3-chloro-4-methoxyphenyl)acetamide has a molecular weight of 463.74 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 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-methoxyphenyl)acetamide is sourced from PubChem (CID 22516469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).