N-(5-bromopyridin-1-ium-2-yl)-4-(2-methylpropyl)benzenesulfonamide

C15H18BrN2O2S+ — CID 5064134

IUPACN-(5-bromopyridin-1-ium-2-yl)-4-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)Nc2ccc(Br)c[nH+]2)cc1
InChIInChI=1S/C15H17BrN2O2S/c1-11(2)9-12-3-6-14(7-4-12)21(19,20)18-15-8-5-13(16)10-17-15/h3-8,10-11H,9H2,1-2H3,(H,17,18)/p+1
InChIKeyHBSOMZGPPLRJHQ-UHFFFAOYSA-O
MW370.29 g/mol
LogP3.26
Rot. Bonds5

About N-(5-bromopyridin-1-ium-2-yl)-4-(2-methylpropyl)benzenesulfonamide

N-(5-bromopyridin-1-ium-2-yl)-4-(2-methylpropyl)benzenesulfonamide (PubChem CID 5064134) has the molecular formula C15H18BrN2O2S+ and a molecular weight of 370.29 g/mol. Its IUPAC name is N-(5-bromopyridin-1-ium-2-yl)-4-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromopyridin-1-ium-2-yl)-4-(2-methylpropyl)benzenesulfonamide
PubChem CID5064134
Molecular FormulaC15H18BrN2O2S+
Molecular Weight370.29 g/mol
Exact Mass369.03
IUPAC NameN-(5-bromopyridin-1-ium-2-yl)-4-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)Nc2ccc(Br)c[nH+]2)cc1
InChIInChI=1S/C15H17BrN2O2S/c1-11(2)9-12-3-6-14(7-4-12)21(19,20)18-15-8-5-13(16)10-17-15/h3-8,10-11H,9H2,1-2H3,(H,17,18)/p+1
InChIKeyHBSOMZGPPLRJHQ-UHFFFAOYSA-O
XLogP3.26
TPSA60.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.29
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(5-bromopyridin-1-ium-2-yl)-4-(2-methylpropyl)benzenesulfonamide 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 N-(5-bromopyridin-1-ium-2-yl)-4-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of N-(5-bromopyridin-1-ium-2-yl)-4-(2-methylpropyl)benzenesulfonamide (CID 5064134) is N-(5-bromopyridin-1-ium-2-yl)-4-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for N-(5-bromopyridin-1-ium-2-yl)-4-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for N-(5-bromopyridin-1-ium-2-yl)-4-(2-methylpropyl)benzenesulfonamide is CC(C)Cc1ccc(S(=O)(=O)Nc2ccc(Br)c[nH+]2)cc1.
What is the InChIKey of N-(5-bromopyridin-1-ium-2-yl)-4-(2-methylpropyl)benzenesulfonamide?
The InChIKey is HBSOMZGPPLRJHQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H17BrN2O2S/c1-11(2)9-12-3-6-14(7-4-12)21(19,20)18-15-8-5-13(16)10-17-15/h3-8,10-11H,9H2,1-2H3,(H,17,18)/p+1.
What are the key properties of N-(5-bromopyridin-1-ium-2-yl)-4-(2-methylpropyl)benzenesulfonamide?
N-(5-bromopyridin-1-ium-2-yl)-4-(2-methylpropyl)benzenesulfonamide has a molecular weight of 370.29 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopyridin-1-ium-2-yl)-4-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 5064134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).