2-[4-bromo-2-(4-methylphenyl)sulfonylimino-1-pyridinyl]acetamide

C14H14BrN3O3S — CID 70995575

IUPAC2-[4-bromo-2-(4-methylphenyl)sulfonylimino-1-pyridinyl]acetamide
SMILESCc1ccc(S(=O)(=O)N=c2cc(Br)ccn2CC(N)=O)cc1
InChIInChI=1S/C14H14BrN3O3S/c1-10-2-4-12(5-3-10)22(20,21)17-14-8-11(15)6-7-18(14)9-13(16)19/h2-8H,9H2,1H3,(H2,16,19)
InChIKeyMKJYQNFOBWXZQI-UHFFFAOYSA-N
MW384.26 g/mol
LogP1.33
Rot. Bonds4

About 2-[4-bromo-2-(4-methylphenyl)sulfonylimino-1-pyridinyl]acetamide

2-[4-bromo-2-(4-methylphenyl)sulfonylimino-1-pyridinyl]acetamide (PubChem CID 70995575) has the molecular formula C14H14BrN3O3S and a molecular weight of 384.26 g/mol. Its IUPAC name is 2-[4-bromo-2-(4-methylphenyl)sulfonylimino-1-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[4-bromo-2-(4-methylphenyl)sulfonylimino-1-pyridinyl]acetamide
PubChem CID70995575
Molecular FormulaC14H14BrN3O3S
Molecular Weight384.26 g/mol
Exact Mass382.99
IUPAC Name2-[4-bromo-2-(4-methylphenyl)sulfonylimino-1-pyridinyl]acetamide
SMILESCc1ccc(S(=O)(=O)N=c2cc(Br)ccn2CC(N)=O)cc1
InChIInChI=1S/C14H14BrN3O3S/c1-10-2-4-12(5-3-10)22(20,21)17-14-8-11(15)6-7-18(14)9-13(16)19/h2-8H,9H2,1H3,(H2,16,19)
InChIKeyMKJYQNFOBWXZQI-UHFFFAOYSA-N
XLogP1.33
TPSA94.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.26
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-bromo-2-(4-methylphenyl)sulfonylimino-1-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-bromo-2-(4-methylphenyl)sulfonylimino-1-pyridinyl]acetamide?
The IUPAC name of 2-[4-bromo-2-(4-methylphenyl)sulfonylimino-1-pyridinyl]acetamide (CID 70995575) is 2-[4-bromo-2-(4-methylphenyl)sulfonylimino-1-pyridinyl]acetamide.
What is the SMILES notation for 2-[4-bromo-2-(4-methylphenyl)sulfonylimino-1-pyridinyl]acetamide?
The canonical SMILES for 2-[4-bromo-2-(4-methylphenyl)sulfonylimino-1-pyridinyl]acetamide is Cc1ccc(S(=O)(=O)N=c2cc(Br)ccn2CC(N)=O)cc1.
What is the InChIKey of 2-[4-bromo-2-(4-methylphenyl)sulfonylimino-1-pyridinyl]acetamide?
The InChIKey is MKJYQNFOBWXZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O3S/c1-10-2-4-12(5-3-10)22(20,21)17-14-8-11(15)6-7-18(14)9-13(16)19/h2-8H,9H2,1H3,(H2,16,19).
What are the key properties of 2-[4-bromo-2-(4-methylphenyl)sulfonylimino-1-pyridinyl]acetamide?
2-[4-bromo-2-(4-methylphenyl)sulfonylimino-1-pyridinyl]acetamide has a molecular weight of 384.26 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-(4-methylphenyl)sulfonylimino-1-pyridinyl]acetamide is sourced from PubChem (CID 70995575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).