N-(3-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide

C12H12FN3O2S — CID 62142755

IUPACN-(3-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ccc(S(=O)(=O)Nc2cccc(F)c2)cn1
InChIInChI=1S/C12H12FN3O2S/c1-14-12-6-5-11(8-15-12)19(17,18)16-10-4-2-3-9(13)7-10/h2-8,16H,1H3,(H,14,15)
InChIKeyALRXFXJMFBCZER-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.06
Rot. Bonds4

About N-(3-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide

N-(3-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide (PubChem CID 62142755) has the molecular formula C12H12FN3O2S and a molecular weight of 281.31 g/mol. Its IUPAC name is N-(3-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide
PubChem CID62142755
Molecular FormulaC12H12FN3O2S
Molecular Weight281.31 g/mol
Exact Mass281.06
IUPAC NameN-(3-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ccc(S(=O)(=O)Nc2cccc(F)c2)cn1
InChIInChI=1S/C12H12FN3O2S/c1-14-12-6-5-11(8-15-12)19(17,18)16-10-4-2-3-9(13)7-10/h2-8,16H,1H3,(H,14,15)
InChIKeyALRXFXJMFBCZER-UHFFFAOYSA-N
XLogP2.06
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanophenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 62144164
N-(3,5-dichloro-4-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 107578094
6-(methylamino)-N-(2-methyl-4-pyridinyl)pyridine-3-sulfonamide
CID 79240478
N-(2,6-dimethylphenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 62143160
3-N-(3-fluorophenyl)-1-N-methylbenzene-1,3-disulfonamide
CID 49186407
6-amino-5-chloro-N-(3-fluorophenyl)pyridine-3-sulfonamide
CID 64608125
N-(5-bromo-2-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 62146982
4-bromo-3-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 97161985
1-(3-fluorophenyl)-3-[6-(methylamino)-3-pyridinyl]urea
CID 146121634
N-(3,5-difluorophenyl)-6-[1-(furan-2-yl)ethylamino]pyridine-3-sulfonamide
CID 133358492
N-(3-fluorophenyl)-4-[4-(4-methylphenyl)sulfonylphenyl]benzenesulfonamide
CID 25037271
4-bromo-N-(3-fluorophenyl)-3-methylbenzenesulfonamide
CID 7938634

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(3-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide (CID 62142755) is N-(3-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(3-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(3-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide is CNc1ccc(S(=O)(=O)Nc2cccc(F)c2)cn1.
What is the InChIKey of N-(3-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide?
The InChIKey is ALRXFXJMFBCZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2S/c1-14-12-6-5-11(8-15-12)19(17,18)16-10-4-2-3-9(13)7-10/h2-8,16H,1H3,(H,14,15).
What are the key properties of N-(3-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide?
N-(3-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide has a molecular weight of 281.31 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 62142755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).