2-(dimethylsulfamoylamino)-5-[(4-fluorophenyl)methylamino]pyridine

C14H17FN4O2S — CID 113027139

IUPAC2-(dimethylsulfamoylamino)-5-[(4-fluorophenyl)methylamino]pyridine
SMILESCN(C)S(=O)(=O)Nc1ccc(NCc2ccc(F)cc2)cn1
InChIInChI=1S/C14H17FN4O2S/c1-19(2)22(20,21)18-14-8-7-13(10-17-14)16-9-11-3-5-12(15)6-4-11/h3-8,10,16H,9H2,1-2H3,(H,17,18)
InChIKeyMXXYGUAPMDWXQS-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.05
Rot. Bonds6

About 2-(dimethylsulfamoylamino)-5-[(4-fluorophenyl)methylamino]pyridine

2-(dimethylsulfamoylamino)-5-[(4-fluorophenyl)methylamino]pyridine (PubChem CID 113027139) has the molecular formula C14H17FN4O2S and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(dimethylsulfamoylamino)-5-[(4-fluorophenyl)methylamino]pyridine.

Molecular Properties

Compound Name2-(dimethylsulfamoylamino)-5-[(4-fluorophenyl)methylamino]pyridine
PubChem CID113027139
Molecular FormulaC14H17FN4O2S
Molecular Weight324.38 g/mol
Exact Mass324.11
IUPAC Name2-(dimethylsulfamoylamino)-5-[(4-fluorophenyl)methylamino]pyridine
SMILESCN(C)S(=O)(=O)Nc1ccc(NCc2ccc(F)cc2)cn1
InChIInChI=1S/C14H17FN4O2S/c1-19(2)22(20,21)18-14-8-7-13(10-17-14)16-9-11-3-5-12(15)6-4-11/h3-8,10,16H,9H2,1-2H3,(H,17,18)
InChIKeyMXXYGUAPMDWXQS-UHFFFAOYSA-N
XLogP2.05
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(dimethylsulfamoylamino)-5-[(4-fluorophenyl)methylamino]pyridine 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

5-(dimethylsulfamoylamino)-2-[(4-fluorophenyl)methylamino]pyridine
CID 113012162
N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]propane-1-sulfonamide
CID 113027137
2-(dimethylsulfamoylamino)-5-(propylamino)pyridine
CID 113023494
2-(dimethylsulfamoylamino)-5-[(3-methylphenyl)methylamino]pyridine
CID 113026646
5-[2-(dimethylamino)ethylamino]-2-(dimethylsulfamoylamino)pyridine
CID 113025561
4-chloro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]benzenesulfonamide
CID 113027143
2-(dimethylsulfamoylamino)-5-(2-methylpropylamino)pyridine
CID 113024164
4-fluoro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113027151
N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]propanamide
CID 113027073
N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113012183
2-(1,3-benzodioxol-5-ylmethylamino)-5-(dimethylsulfamoylamino)pyridine
CID 113012557
5-(dimethylsulfamoylamino)-2-(methylamino)pyridine
CID 115268515

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylsulfamoylamino)-5-[(4-fluorophenyl)methylamino]pyridine?
The IUPAC name of 2-(dimethylsulfamoylamino)-5-[(4-fluorophenyl)methylamino]pyridine (CID 113027139) is 2-(dimethylsulfamoylamino)-5-[(4-fluorophenyl)methylamino]pyridine.
What is the SMILES notation for 2-(dimethylsulfamoylamino)-5-[(4-fluorophenyl)methylamino]pyridine?
The canonical SMILES for 2-(dimethylsulfamoylamino)-5-[(4-fluorophenyl)methylamino]pyridine is CN(C)S(=O)(=O)Nc1ccc(NCc2ccc(F)cc2)cn1.
What is the InChIKey of 2-(dimethylsulfamoylamino)-5-[(4-fluorophenyl)methylamino]pyridine?
The InChIKey is MXXYGUAPMDWXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O2S/c1-19(2)22(20,21)18-14-8-7-13(10-17-14)16-9-11-3-5-12(15)6-4-11/h3-8,10,16H,9H2,1-2H3,(H,17,18).
What are the key properties of 2-(dimethylsulfamoylamino)-5-[(4-fluorophenyl)methylamino]pyridine?
2-(dimethylsulfamoylamino)-5-[(4-fluorophenyl)methylamino]pyridine has a molecular weight of 324.38 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylsulfamoylamino)-5-[(4-fluorophenyl)methylamino]pyridine is sourced from PubChem (CID 113027139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).