1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidine-3-sulfonamide

C10H14FN3O4S2 — CID 103302923

IUPAC1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidine-3-sulfonamide
SMILESNS(=O)(=O)C1CCCN(S(=O)(=O)c2ncccc2F)C1
InChIInChI=1S/C10H14FN3O4S2/c11-9-4-1-5-13-10(9)20(17,18)14-6-2-3-8(7-14)19(12,15)16/h1,4-5,8H,2-3,6-7H2,(H2,12,15,16)
InChIKeyMOPGVEHHJJWYCJ-UHFFFAOYSA-N
MW323.37 g/mol
LogP-0.34
Rot. Bonds3

About 1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidine-3-sulfonamide

1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidine-3-sulfonamide (PubChem CID 103302923) has the molecular formula C10H14FN3O4S2 and a molecular weight of 323.37 g/mol. Its IUPAC name is 1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidine-3-sulfonamide.

Molecular Properties

Compound Name1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidine-3-sulfonamide
PubChem CID103302923
Molecular FormulaC10H14FN3O4S2
Molecular Weight323.37 g/mol
Exact Mass323.04
IUPAC Name1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidine-3-sulfonamide
SMILESNS(=O)(=O)C1CCCN(S(=O)(=O)c2ncccc2F)C1
InChIInChI=1S/C10H14FN3O4S2/c11-9-4-1-5-13-10(9)20(17,18)14-6-2-3-8(7-14)19(12,15)16/h1,4-5,8H,2-3,6-7H2,(H2,12,15,16)
InChIKeyMOPGVEHHJJWYCJ-UHFFFAOYSA-N
XLogP-0.34
TPSA110.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidine-3-sulfonamide?
The IUPAC name of 1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidine-3-sulfonamide (CID 103302923) is 1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidine-3-sulfonamide.
What is the SMILES notation for 1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidine-3-sulfonamide?
The canonical SMILES for 1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidine-3-sulfonamide is NS(=O)(=O)C1CCCN(S(=O)(=O)c2ncccc2F)C1.
What is the InChIKey of 1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidine-3-sulfonamide?
The InChIKey is MOPGVEHHJJWYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O4S2/c11-9-4-1-5-13-10(9)20(17,18)14-6-2-3-8(7-14)19(12,15)16/h1,4-5,8H,2-3,6-7H2,(H2,12,15,16).
What are the key properties of 1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidine-3-sulfonamide?
1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidine-3-sulfonamide has a molecular weight of 323.37 g/mol, XLogP of -0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidine-3-sulfonamide is sourced from PubChem (CID 103302923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).