2-[(4-bromophenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide

C15H16BrN3O3S — CID 1073019

IUPAC2-[(4-bromophenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide
SMILESCN(CC(=O)NCc1ccccn1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H16BrN3O3S/c1-19(23(21,22)14-7-5-12(16)6-8-14)11-15(20)18-10-13-4-2-3-9-17-13/h2-9H,10-11H2,1H3,(H,18,20)
InChIKeyMPNKZGWKGINBSW-UHFFFAOYSA-N
MW398.28 g/mol
LogP1.78
Rot. Bonds6

About 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide

2-[(4-bromophenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 1073019) has the molecular formula C15H16BrN3O3S and a molecular weight of 398.28 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID1073019
Molecular FormulaC15H16BrN3O3S
Molecular Weight398.28 g/mol
Exact Mass397.01
IUPAC Name2-[(4-bromophenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide
SMILESCN(CC(=O)NCc1ccccn1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H16BrN3O3S/c1-19(23(21,22)14-7-5-12(16)6-8-14)11-15(20)18-10-13-4-2-3-9-17-13/h2-9H,10-11H2,1H3,(H,18,20)
InChIKeyMPNKZGWKGINBSW-UHFFFAOYSA-N
XLogP1.78
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide (CID 1073019) is 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide is CN(CC(=O)NCc1ccccn1)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is MPNKZGWKGINBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O3S/c1-19(23(21,22)14-7-5-12(16)6-8-14)11-15(20)18-10-13-4-2-3-9-17-13/h2-9H,10-11H2,1H3,(H,18,20).
What are the key properties of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide?
2-[(4-bromophenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 398.28 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 1073019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).