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

C14H17FN4O2S — CID 113012162

IUPAC5-(dimethylsulfamoylamino)-2-[(4-fluorophenyl)methylamino]pyridine
SMILESCN(C)S(=O)(=O)Nc1ccc(NCc2ccc(F)cc2)nc1
InChIInChI=1S/C14H17FN4O2S/c1-19(2)22(20,21)18-13-7-8-14(17-10-13)16-9-11-3-5-12(15)6-4-11/h3-8,10,18H,9H2,1-2H3,(H,16,17)
InChIKeyVOOFKMSYRWIZTO-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.05
Rot. Bonds6

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

5-(dimethylsulfamoylamino)-2-[(4-fluorophenyl)methylamino]pyridine (PubChem CID 113012162) has the molecular formula C14H17FN4O2S and a molecular weight of 324.38 g/mol. Its IUPAC name is 5-(dimethylsulfamoylamino)-2-[(4-fluorophenyl)methylamino]pyridine.

Molecular Properties

Compound Name5-(dimethylsulfamoylamino)-2-[(4-fluorophenyl)methylamino]pyridine
PubChem CID113012162
Molecular FormulaC14H17FN4O2S
Molecular Weight324.38 g/mol
Exact Mass324.11
IUPAC Name5-(dimethylsulfamoylamino)-2-[(4-fluorophenyl)methylamino]pyridine
SMILESCN(C)S(=O)(=O)Nc1ccc(NCc2ccc(F)cc2)nc1
InChIInChI=1S/C14H17FN4O2S/c1-19(2)22(20,21)18-13-7-8-14(17-10-13)16-9-11-3-5-12(15)6-4-11/h3-8,10,18H,9H2,1-2H3,(H,16,17)
InChIKeyVOOFKMSYRWIZTO-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

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Related Compounds

2-(dimethylsulfamoylamino)-5-[(4-fluorophenyl)methylamino]pyridine
CID 113027139
2-(1,3-benzodioxol-5-ylmethylamino)-5-(dimethylsulfamoylamino)pyridine
CID 113012557
N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113012183
5-(dimethylsulfamoylamino)-2-(furan-2-ylmethylamino)pyridine
CID 113011375
5-(dimethylsulfamoylamino)-2-(methylamino)pyridine
CID 115268515
2-chloro-N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]benzenesulfonamide
CID 113012187
N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]propane-1-sulfonamide
CID 113027137
2-(dimethylsulfamoylamino)-5-(propylamino)pyridine
CID 113023494
5-[2-(dimethylamino)ethylamino]-2-(dimethylsulfamoylamino)pyridine
CID 113025561
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]methanesulfonamide
CID 113012323
6-[(4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 78956311
2-(dimethylsulfamoylamino)-5-[(3-methylphenyl)methylamino]pyridine
CID 113026646

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoylamino)-2-[(4-fluorophenyl)methylamino]pyridine?
The IUPAC name of 5-(dimethylsulfamoylamino)-2-[(4-fluorophenyl)methylamino]pyridine (CID 113012162) is 5-(dimethylsulfamoylamino)-2-[(4-fluorophenyl)methylamino]pyridine.
What is the SMILES notation for 5-(dimethylsulfamoylamino)-2-[(4-fluorophenyl)methylamino]pyridine?
The canonical SMILES for 5-(dimethylsulfamoylamino)-2-[(4-fluorophenyl)methylamino]pyridine is CN(C)S(=O)(=O)Nc1ccc(NCc2ccc(F)cc2)nc1.
What is the InChIKey of 5-(dimethylsulfamoylamino)-2-[(4-fluorophenyl)methylamino]pyridine?
The InChIKey is VOOFKMSYRWIZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O2S/c1-19(2)22(20,21)18-13-7-8-14(17-10-13)16-9-11-3-5-12(15)6-4-11/h3-8,10,18H,9H2,1-2H3,(H,16,17).
What are the key properties of 5-(dimethylsulfamoylamino)-2-[(4-fluorophenyl)methylamino]pyridine?
5-(dimethylsulfamoylamino)-2-[(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 5-(dimethylsulfamoylamino)-2-[(4-fluorophenyl)methylamino]pyridine is sourced from PubChem (CID 113012162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).