4-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]-N,N-dimethylbenzenesulfonamide

C15H18BrN3O2S — CID 133374157

IUPAC4-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]-N,N-dimethylbenzenesulfonamide
SMILESCc1cc(Br)cnc1NCc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C15H18BrN3O2S/c1-11-8-13(16)10-18-15(11)17-9-12-4-6-14(7-5-12)22(20,21)19(2)3/h4-8,10H,9H2,1-3H3,(H,17,18)
InChIKeyQPYCECYRJKUBMP-UHFFFAOYSA-N
MW384.30 g/mol
LogP3.01
Rot. Bonds5

About 4-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]-N,N-dimethylbenzenesulfonamide

4-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]-N,N-dimethylbenzenesulfonamide (PubChem CID 133374157) has the molecular formula C15H18BrN3O2S and a molecular weight of 384.30 g/mol. Its IUPAC name is 4-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]-N,N-dimethylbenzenesulfonamide
PubChem CID133374157
Molecular FormulaC15H18BrN3O2S
Molecular Weight384.30 g/mol
Exact Mass383.03
IUPAC Name4-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]-N,N-dimethylbenzenesulfonamide
SMILESCc1cc(Br)cnc1NCc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C15H18BrN3O2S/c1-11-8-13(16)10-18-15(11)17-9-12-4-6-14(7-5-12)22(20,21)19(2)3/h4-8,10H,9H2,1-3H3,(H,17,18)
InChIKeyQPYCECYRJKUBMP-UHFFFAOYSA-N
XLogP3.01
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.30
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]-N,N-dimethylbenzenesulfonamide (CID 133374157) is 4-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]-N,N-dimethylbenzenesulfonamide is Cc1cc(Br)cnc1NCc1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 4-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is QPYCECYRJKUBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2S/c1-11-8-13(16)10-18-15(11)17-9-12-4-6-14(7-5-12)22(20,21)19(2)3/h4-8,10H,9H2,1-3H3,(H,17,18).
What are the key properties of 4-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]-N,N-dimethylbenzenesulfonamide?
4-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 384.30 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 133374157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).