3-(4-bromophenyl)sulfonyl-N-(4-methyl-2-pyridinyl)propanamide

C15H15BrN2O3S — CID 4085492

IUPAC3-(4-bromophenyl)sulfonyl-N-(4-methyl-2-pyridinyl)propanamide
SMILESCc1ccnc(NC(=O)CCS(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C15H15BrN2O3S/c1-11-6-8-17-14(10-11)18-15(19)7-9-22(20,21)13-4-2-12(16)3-5-13/h2-6,8,10H,7,9H2,1H3,(H,17,18,19)
InChIKeyROBNPLKCNQYWHW-UHFFFAOYSA-N
MW383.27 g/mol
LogP2.96
Rot. Bonds5

About 3-(4-bromophenyl)sulfonyl-N-(4-methyl-2-pyridinyl)propanamide

3-(4-bromophenyl)sulfonyl-N-(4-methyl-2-pyridinyl)propanamide (PubChem CID 4085492) has the molecular formula C15H15BrN2O3S and a molecular weight of 383.27 g/mol. Its IUPAC name is 3-(4-bromophenyl)sulfonyl-N-(4-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-(4-bromophenyl)sulfonyl-N-(4-methyl-2-pyridinyl)propanamide
PubChem CID4085492
Molecular FormulaC15H15BrN2O3S
Molecular Weight383.27 g/mol
Exact Mass382.00
IUPAC Name3-(4-bromophenyl)sulfonyl-N-(4-methyl-2-pyridinyl)propanamide
SMILESCc1ccnc(NC(=O)CCS(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C15H15BrN2O3S/c1-11-6-8-17-14(10-11)18-15(19)7-9-22(20,21)13-4-2-12(16)3-5-13/h2-6,8,10H,7,9H2,1H3,(H,17,18,19)
InChIKeyROBNPLKCNQYWHW-UHFFFAOYSA-N
XLogP2.96
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.27
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-bromophenyl)sulfonyl-N-(4-methyl-2-pyridinyl)propanamide 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 3-(4-bromophenyl)sulfonyl-N-(4-methyl-2-pyridinyl)propanamide?
The IUPAC name of 3-(4-bromophenyl)sulfonyl-N-(4-methyl-2-pyridinyl)propanamide (CID 4085492) is 3-(4-bromophenyl)sulfonyl-N-(4-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 3-(4-bromophenyl)sulfonyl-N-(4-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 3-(4-bromophenyl)sulfonyl-N-(4-methyl-2-pyridinyl)propanamide is Cc1ccnc(NC(=O)CCS(=O)(=O)c2ccc(Br)cc2)c1.
What is the InChIKey of 3-(4-bromophenyl)sulfonyl-N-(4-methyl-2-pyridinyl)propanamide?
The InChIKey is ROBNPLKCNQYWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3S/c1-11-6-8-17-14(10-11)18-15(19)7-9-22(20,21)13-4-2-12(16)3-5-13/h2-6,8,10H,7,9H2,1H3,(H,17,18,19).
What are the key properties of 3-(4-bromophenyl)sulfonyl-N-(4-methyl-2-pyridinyl)propanamide?
3-(4-bromophenyl)sulfonyl-N-(4-methyl-2-pyridinyl)propanamide has a molecular weight of 383.27 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)sulfonyl-N-(4-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 4085492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).