N-[5-(butylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide

C15H18FN3O2S — CID 113024035

IUPACN-[5-(butylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide
SMILESCCCCNc1ccc(NS(=O)(=O)c2ccc(F)cc2)nc1
InChIInChI=1S/C15H18FN3O2S/c1-2-3-10-17-13-6-9-15(18-11-13)19-22(20,21)14-7-4-12(16)5-8-14/h4-9,11,17H,2-3,10H2,1H3,(H,18,19)
InChIKeyWKUFXZHZNSETEM-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.23
Rot. Bonds7

About N-[5-(butylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide

N-[5-(butylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide (PubChem CID 113024035) has the molecular formula C15H18FN3O2S and a molecular weight of 323.39 g/mol. Its IUPAC name is N-[5-(butylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(butylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide
PubChem CID113024035
Molecular FormulaC15H18FN3O2S
Molecular Weight323.39 g/mol
Exact Mass323.11
IUPAC NameN-[5-(butylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide
SMILESCCCCNc1ccc(NS(=O)(=O)c2ccc(F)cc2)nc1
InChIInChI=1S/C15H18FN3O2S/c1-2-3-10-17-13-6-9-15(18-11-13)19-22(20,21)14-7-4-12(16)5-8-14/h4-9,11,17H,2-3,10H2,1H3,(H,18,19)
InChIKeyWKUFXZHZNSETEM-UHFFFAOYSA-N
XLogP3.23
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[5-(butylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[5-(pentylamino)-2-pyridinyl]benzenesulfonamide
CID 113030458
N-[5-(butylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113024046
N-[6-(butylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide
CID 16942060
N-[5-(butylamino)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide
CID 113024078
4-bromo-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide
CID 113023499
N-(4-fluorophenyl)-6-(propylamino)pyridine-3-sulfonamide
CID 62145210
6-(ethylamino)-N-(4-fluorophenyl)pyridine-3-sulfonamide
CID 62145209
4-chloro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]benzenesulfonamide
CID 113027143
N-[5-(3-phenylpropylamino)-2-pyridinyl]benzenesulfonamide
CID 113029860
4-fluoro-N-[5-(furan-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide
CID 113026312
5-methyl-N-[5-(pentylamino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113030482
N-[6-(butylamino)-3-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113009531

Frequently Asked Questions

What is the IUPAC name of N-[5-(butylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[5-(butylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide (CID 113024035) is N-[5-(butylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[5-(butylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[5-(butylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide is CCCCNc1ccc(NS(=O)(=O)c2ccc(F)cc2)nc1.
What is the InChIKey of N-[5-(butylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide?
The InChIKey is WKUFXZHZNSETEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2S/c1-2-3-10-17-13-6-9-15(18-11-13)19-22(20,21)14-7-4-12(16)5-8-14/h4-9,11,17H,2-3,10H2,1H3,(H,18,19).
What are the key properties of N-[5-(butylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide?
N-[5-(butylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide has a molecular weight of 323.39 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(butylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 113024035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).