N-[4-(dimethylamino)-3-pyridinyl]-4-fluorobenzenesulfonamide

C13H14FN3O2S — CID 61051789

IUPACN-[4-(dimethylamino)-3-pyridinyl]-4-fluorobenzenesulfonamide
SMILESCN(C)c1ccncc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H14FN3O2S/c1-17(2)13-7-8-15-9-12(13)16-20(18,19)11-5-3-10(14)4-6-11/h3-9,16H,1-2H3
InChIKeyWITAYUHXTULXOE-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.09
Rot. Bonds4

About N-[4-(dimethylamino)-3-pyridinyl]-4-fluorobenzenesulfonamide

N-[4-(dimethylamino)-3-pyridinyl]-4-fluorobenzenesulfonamide (PubChem CID 61051789) has the molecular formula C13H14FN3O2S and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[4-(dimethylamino)-3-pyridinyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-3-pyridinyl]-4-fluorobenzenesulfonamide
PubChem CID61051789
Molecular FormulaC13H14FN3O2S
Molecular Weight295.34 g/mol
Exact Mass295.08
IUPAC NameN-[4-(dimethylamino)-3-pyridinyl]-4-fluorobenzenesulfonamide
SMILESCN(C)c1ccncc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H14FN3O2S/c1-17(2)13-7-8-15-9-12(13)16-20(18,19)11-5-3-10(14)4-6-11/h3-9,16H,1-2H3
InChIKeyWITAYUHXTULXOE-UHFFFAOYSA-N
XLogP2.09
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[4-(dimethylamino)-3-pyridinyl]thiophene-2-sulfonamide
CID 61456046
3-N-[1-(4-fluorophenyl)propyl]-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678675
3-N-(1-ethylsulfonylpropan-2-yl)-4-N,4-N-dimethylpyridine-3,4-diamine
CID 113494502
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-4-fluorobenzenesulfonamide
CID 122319347
N-[2-(dimethylamino)-5-fluorophenyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113092544
4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide
CID 669150
N-(3-fluoro-4-pyridinyl)-4-hydroxybenzenesulfonamide
CID 107595237
N-(4-methyl-3-pyridinyl)-4-(propylamino)benzenesulfonamide
CID 63328119
N-(3-fluoro-4-pyridinyl)-4-(propylamino)benzenesulfonamide
CID 107595393
4-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 66524316
4-acetyl-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 103862771
4-fluoro-N-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]benzenesulfonamide
CID 113028585

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-3-pyridinyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[4-(dimethylamino)-3-pyridinyl]-4-fluorobenzenesulfonamide (CID 61051789) is N-[4-(dimethylamino)-3-pyridinyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[4-(dimethylamino)-3-pyridinyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[4-(dimethylamino)-3-pyridinyl]-4-fluorobenzenesulfonamide is CN(C)c1ccncc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[4-(dimethylamino)-3-pyridinyl]-4-fluorobenzenesulfonamide?
The InChIKey is WITAYUHXTULXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2S/c1-17(2)13-7-8-15-9-12(13)16-20(18,19)11-5-3-10(14)4-6-11/h3-9,16H,1-2H3.
What are the key properties of N-[4-(dimethylamino)-3-pyridinyl]-4-fluorobenzenesulfonamide?
N-[4-(dimethylamino)-3-pyridinyl]-4-fluorobenzenesulfonamide has a molecular weight of 295.34 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-3-pyridinyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 61051789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).