2-[(4-bromophenyl)sulfonyl-methylamino]-N-(6-methyl-2-pyridinyl)acetamide

C15H16BrN3O3S — CID 2233591

IUPAC2-[(4-bromophenyl)sulfonyl-methylamino]-N-(6-methyl-2-pyridinyl)acetamide
SMILESCc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)n1
InChIInChI=1S/C15H16BrN3O3S/c1-11-4-3-5-14(17-11)18-15(20)10-19(2)23(21,22)13-8-6-12(16)7-9-13/h3-9H,10H2,1-2H3,(H,17,18,20)
InChIKeySXHBIZLTUXKDSY-UHFFFAOYSA-N
MW398.28 g/mol
LogP2.41
Rot. Bonds5

About 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(6-methyl-2-pyridinyl)acetamide

2-[(4-bromophenyl)sulfonyl-methylamino]-N-(6-methyl-2-pyridinyl)acetamide (PubChem CID 2233591) has the molecular formula C15H16BrN3O3S and a molecular weight of 398.28 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(6-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonyl-methylamino]-N-(6-methyl-2-pyridinyl)acetamide
PubChem CID2233591
Molecular FormulaC15H16BrN3O3S
Molecular Weight398.28 g/mol
Exact Mass397.01
IUPAC Name2-[(4-bromophenyl)sulfonyl-methylamino]-N-(6-methyl-2-pyridinyl)acetamide
SMILESCc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)n1
InChIInChI=1S/C15H16BrN3O3S/c1-11-4-3-5-14(17-11)18-15(20)10-19(2)23(21,22)13-8-6-12(16)7-9-13/h3-9H,10H2,1-2H3,(H,17,18,20)
InChIKeySXHBIZLTUXKDSY-UHFFFAOYSA-N
XLogP2.41
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(6-methyl-2-pyridinyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(6-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(6-methyl-2-pyridinyl)acetamide (CID 2233591) is 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(6-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(6-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(6-methyl-2-pyridinyl)acetamide is Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)n1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(6-methyl-2-pyridinyl)acetamide?
The InChIKey is SXHBIZLTUXKDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O3S/c1-11-4-3-5-14(17-11)18-15(20)10-19(2)23(21,22)13-8-6-12(16)7-9-13/h3-9H,10H2,1-2H3,(H,17,18,20).
What are the key properties of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(6-methyl-2-pyridinyl)acetamide?
2-[(4-bromophenyl)sulfonyl-methylamino]-N-(6-methyl-2-pyridinyl)acetamide has a molecular weight of 398.28 g/mol, XLogP of 2.41, 5 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-(6-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 2233591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).