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

C14H14BrN3O3S — CID 1256095

IUPAC2-[(4-bromophenyl)sulfonyl-methylamino]-N-pyridin-4-ylacetamide
SMILESCN(CC(=O)Nc1ccncc1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H14BrN3O3S/c1-18(10-14(19)17-12-6-8-16-9-7-12)22(20,21)13-4-2-11(15)3-5-13/h2-9H,10H2,1H3,(H,16,17,19)
InChIKeyQOUSZODJAUCTIH-UHFFFAOYSA-N
MW384.26 g/mol
LogP2.10
Rot. Bonds5

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

2-[(4-bromophenyl)sulfonyl-methylamino]-N-pyridin-4-ylacetamide (PubChem CID 1256095) has the molecular formula C14H14BrN3O3S and a molecular weight of 384.26 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonyl-methylamino]-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonyl-methylamino]-N-pyridin-4-ylacetamide
PubChem CID1256095
Molecular FormulaC14H14BrN3O3S
Molecular Weight384.26 g/mol
Exact Mass382.99
IUPAC Name2-[(4-bromophenyl)sulfonyl-methylamino]-N-pyridin-4-ylacetamide
SMILESCN(CC(=O)Nc1ccncc1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H14BrN3O3S/c1-18(10-14(19)17-12-6-8-16-9-7-12)22(20,21)13-4-2-11(15)3-5-13/h2-9H,10H2,1H3,(H,16,17,19)
InChIKeyQOUSZODJAUCTIH-UHFFFAOYSA-N
XLogP2.10
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.26
LogP ≤ 52.10
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-4-ylacetamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-pyridin-4-ylacetamide (CID 1256095) is 2-[(4-bromophenyl)sulfonyl-methylamino]-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-pyridin-4-ylacetamide is CN(CC(=O)Nc1ccncc1)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-pyridin-4-ylacetamide?
The InChIKey is QOUSZODJAUCTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O3S/c1-18(10-14(19)17-12-6-8-16-9-7-12)22(20,21)13-4-2-11(15)3-5-13/h2-9H,10H2,1H3,(H,16,17,19).
What are the key properties of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-pyridin-4-ylacetamide?
2-[(4-bromophenyl)sulfonyl-methylamino]-N-pyridin-4-ylacetamide has a molecular weight of 384.26 g/mol, XLogP of 2.10, 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-pyridin-4-ylacetamide is sourced from PubChem (CID 1256095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).