2-[[2-(3-fluorophenyl)-2-methylpropyl]amino]pyridine-3-sulfonamide

C15H18FN3O2S — CID 133308376

IUPAC2-[[2-(3-fluorophenyl)-2-methylpropyl]amino]pyridine-3-sulfonamide
SMILESCC(C)(CNc1ncccc1S(N)(=O)=O)c1cccc(F)c1
InChIInChI=1S/C15H18FN3O2S/c1-15(2,11-5-3-6-12(16)9-11)10-19-14-13(22(17,20)21)7-4-8-18-14/h3-9H,10H2,1-2H3,(H,18,19)(H2,17,20,21)
InChIKeyFKRMJYQHVACRSZ-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.26
Rot. Bonds5

About 2-[[2-(3-fluorophenyl)-2-methylpropyl]amino]pyridine-3-sulfonamide

2-[[2-(3-fluorophenyl)-2-methylpropyl]amino]pyridine-3-sulfonamide (PubChem CID 133308376) has the molecular formula C15H18FN3O2S and a molecular weight of 323.39 g/mol. Its IUPAC name is 2-[[2-(3-fluorophenyl)-2-methylpropyl]amino]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-[[2-(3-fluorophenyl)-2-methylpropyl]amino]pyridine-3-sulfonamide
PubChem CID133308376
Molecular FormulaC15H18FN3O2S
Molecular Weight323.39 g/mol
Exact Mass323.11
IUPAC Name2-[[2-(3-fluorophenyl)-2-methylpropyl]amino]pyridine-3-sulfonamide
SMILESCC(C)(CNc1ncccc1S(N)(=O)=O)c1cccc(F)c1
InChIInChI=1S/C15H18FN3O2S/c1-15(2,11-5-3-6-12(16)9-11)10-19-14-13(22(17,20)21)7-4-8-18-14/h3-9H,10H2,1-2H3,(H,18,19)(H2,17,20,21)
InChIKeyFKRMJYQHVACRSZ-UHFFFAOYSA-N
XLogP2.26
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-fluorophenyl)-2-methylpropyl]amino]pyridine-3-sulfonamide?
The IUPAC name of 2-[[2-(3-fluorophenyl)-2-methylpropyl]amino]pyridine-3-sulfonamide (CID 133308376) is 2-[[2-(3-fluorophenyl)-2-methylpropyl]amino]pyridine-3-sulfonamide.
What is the SMILES notation for 2-[[2-(3-fluorophenyl)-2-methylpropyl]amino]pyridine-3-sulfonamide?
The canonical SMILES for 2-[[2-(3-fluorophenyl)-2-methylpropyl]amino]pyridine-3-sulfonamide is CC(C)(CNc1ncccc1S(N)(=O)=O)c1cccc(F)c1.
What is the InChIKey of 2-[[2-(3-fluorophenyl)-2-methylpropyl]amino]pyridine-3-sulfonamide?
The InChIKey is FKRMJYQHVACRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2S/c1-15(2,11-5-3-6-12(16)9-11)10-19-14-13(22(17,20)21)7-4-8-18-14/h3-9H,10H2,1-2H3,(H,18,19)(H2,17,20,21).
What are the key properties of 2-[[2-(3-fluorophenyl)-2-methylpropyl]amino]pyridine-3-sulfonamide?
2-[[2-(3-fluorophenyl)-2-methylpropyl]amino]pyridine-3-sulfonamide has a molecular weight of 323.39 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-fluorophenyl)-2-methylpropyl]amino]pyridine-3-sulfonamide is sourced from PubChem (CID 133308376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).