5-fluoro-N-[(3S)-piperidin-3-yl]pyridine-3-sulfonamide

C10H14FN3O2S — CID 95400234

IUPAC5-fluoro-N-[(3S)-piperidin-3-yl]pyridine-3-sulfonamide
SMILESO=S(=O)(N[C@H]1CCCNC1)c1cncc(F)c1
InChIInChI=1S/C10H14FN3O2S/c11-8-4-10(7-13-5-8)17(15,16)14-9-2-1-3-12-6-9/h4-5,7,9,12,14H,1-3,6H2/t9-/m0/s1
InChIKeyDIOSIVRGGBNVGJ-VIFPVBQESA-N
MW259.31 g/mol
LogP0.25
Rot. Bonds3

About 5-fluoro-N-[(3S)-piperidin-3-yl]pyridine-3-sulfonamide

5-fluoro-N-[(3S)-piperidin-3-yl]pyridine-3-sulfonamide (PubChem CID 95400234) has the molecular formula C10H14FN3O2S and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-fluoro-N-[(3S)-piperidin-3-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-fluoro-N-[(3S)-piperidin-3-yl]pyridine-3-sulfonamide
PubChem CID95400234
Molecular FormulaC10H14FN3O2S
Molecular Weight259.31 g/mol
Exact Mass259.08
IUPAC Name5-fluoro-N-[(3S)-piperidin-3-yl]pyridine-3-sulfonamide
SMILESO=S(=O)(N[C@H]1CCCNC1)c1cncc(F)c1
InChIInChI=1S/C10H14FN3O2S/c11-8-4-10(7-13-5-8)17(15,16)14-9-2-1-3-12-6-9/h4-5,7,9,12,14H,1-3,6H2/t9-/m0/s1
InChIKeyDIOSIVRGGBNVGJ-VIFPVBQESA-N
XLogP0.25
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685503
5-fluoro-N-(pyrrolidin-3-ylmethyl)pyridine-3-sulfonamide
CID 80563217
3-fluoro-4-methoxy-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 104982668
N-pyrrolidin-3-ylpyridine-3-sulfonamide
CID 62380285
2,5-difluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723761
1-(2,2-difluoroethyl)-N-piperidin-3-ylpyrazole-4-sulfonamide;hydrochloride
CID 120707191
4-cyclohexyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 120716650
N-(2-aminocyclopentyl)-5-fluoropyridine-3-sulfonamide
CID 63252311
N-piperidin-3-yl-4-(trifluoromethyl)benzenesulfonamide
CID 63321069
5-bromo-2,4-difluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 166174754
4-chloro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964099
N-piperidin-3-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 63320918

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(3S)-piperidin-3-yl]pyridine-3-sulfonamide?
The IUPAC name of 5-fluoro-N-[(3S)-piperidin-3-yl]pyridine-3-sulfonamide (CID 95400234) is 5-fluoro-N-[(3S)-piperidin-3-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-fluoro-N-[(3S)-piperidin-3-yl]pyridine-3-sulfonamide?
The canonical SMILES for 5-fluoro-N-[(3S)-piperidin-3-yl]pyridine-3-sulfonamide is O=S(=O)(N[C@H]1CCCNC1)c1cncc(F)c1.
What is the InChIKey of 5-fluoro-N-[(3S)-piperidin-3-yl]pyridine-3-sulfonamide?
The InChIKey is DIOSIVRGGBNVGJ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14FN3O2S/c11-8-4-10(7-13-5-8)17(15,16)14-9-2-1-3-12-6-9/h4-5,7,9,12,14H,1-3,6H2/t9-/m0/s1.
What are the key properties of 5-fluoro-N-[(3S)-piperidin-3-yl]pyridine-3-sulfonamide?
5-fluoro-N-[(3S)-piperidin-3-yl]pyridine-3-sulfonamide has a molecular weight of 259.31 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(3S)-piperidin-3-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 95400234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).