N-(3-amino-4-pyridinyl)-5-fluoro-N,2-dimethylbenzenesulfonamide

C13H14FN3O2S — CID 61360190

IUPACN-(3-amino-4-pyridinyl)-5-fluoro-N,2-dimethylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)N(C)c1ccncc1N
InChIInChI=1S/C13H14FN3O2S/c1-9-3-4-10(14)7-13(9)20(18,19)17(2)12-5-6-16-8-11(12)15/h3-8H,15H2,1-2H3
InChIKeyMHIGIKUHTBBIJE-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.94
Rot. Bonds3

About N-(3-amino-4-pyridinyl)-5-fluoro-N,2-dimethylbenzenesulfonamide

N-(3-amino-4-pyridinyl)-5-fluoro-N,2-dimethylbenzenesulfonamide (PubChem CID 61360190) has the molecular formula C13H14FN3O2S and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(3-amino-4-pyridinyl)-5-fluoro-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-4-pyridinyl)-5-fluoro-N,2-dimethylbenzenesulfonamide
PubChem CID61360190
Molecular FormulaC13H14FN3O2S
Molecular Weight295.34 g/mol
Exact Mass295.08
IUPAC NameN-(3-amino-4-pyridinyl)-5-fluoro-N,2-dimethylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)N(C)c1ccncc1N
InChIInChI=1S/C13H14FN3O2S/c1-9-3-4-10(14)7-13(9)20(18,19)17(2)12-5-6-16-8-11(12)15/h3-8H,15H2,1-2H3
InChIKeyMHIGIKUHTBBIJE-UHFFFAOYSA-N
XLogP1.94
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-4-pyridinyl)-N,2,5-trimethylbenzenesulfonamide
CID 61359410
N-(3-amino-4-pyridinyl)-2-bromo-N-methylbenzenesulfonamide
CID 61360192
3-amino-4-[methyl(sulfamoyl)amino]pyridine
CID 114958702
N-(3-amino-4-pyridinyl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 61358245
N-(3-amino-4-pyridinyl)-1,1-difluoro-N-methylmethanesulfonamide
CID 61358244
2-amino-N-(2,4-dimethylphenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 62002014
5-fluoro-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 86768448
4-N,4-N-dimethylpyridine-3,4-diamine
CID 14088946
5-amino-N,2-dimethyl-N-(2-methylphenyl)benzenesulfonamide
CID 62001461
N-(3-amino-4-pyridinyl)-N,3-dimethylbutane-1-sulfonamide
CID 63856219
2-amino-5-chloro-N-(2,5-difluorophenyl)-N-methylpyridine-3-sulfonamide
CID 71967597
2-[(3-amino-4-pyridinyl)-methylamino]-N-(4-fluorophenyl)acetamide
CID 61360203

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-pyridinyl)-5-fluoro-N,2-dimethylbenzenesulfonamide?
The IUPAC name of N-(3-amino-4-pyridinyl)-5-fluoro-N,2-dimethylbenzenesulfonamide (CID 61360190) is N-(3-amino-4-pyridinyl)-5-fluoro-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(3-amino-4-pyridinyl)-5-fluoro-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for N-(3-amino-4-pyridinyl)-5-fluoro-N,2-dimethylbenzenesulfonamide is Cc1ccc(F)cc1S(=O)(=O)N(C)c1ccncc1N.
What is the InChIKey of N-(3-amino-4-pyridinyl)-5-fluoro-N,2-dimethylbenzenesulfonamide?
The InChIKey is MHIGIKUHTBBIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2S/c1-9-3-4-10(14)7-13(9)20(18,19)17(2)12-5-6-16-8-11(12)15/h3-8H,15H2,1-2H3.
What are the key properties of N-(3-amino-4-pyridinyl)-5-fluoro-N,2-dimethylbenzenesulfonamide?
N-(3-amino-4-pyridinyl)-5-fluoro-N,2-dimethylbenzenesulfonamide has a molecular weight of 295.34 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-pyridinyl)-5-fluoro-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 61360190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).