N-cyclopropyl-4-fluoro-N-piperidin-4-ylbenzenesulfonamide

C14H19FN2O2S — CID 68691572

IUPACN-cyclopropyl-4-fluoro-N-piperidin-4-ylbenzenesulfonamide
SMILESO=S(=O)(c1ccc(F)cc1)N(C1CCNCC1)C1CC1
InChIInChI=1S/C14H19FN2O2S/c15-11-1-5-14(6-2-11)20(18,19)17(12-3-4-12)13-7-9-16-10-8-13/h1-2,5-6,12-13,16H,3-4,7-10H2
InChIKeyZMLNMGBYNNDGMZ-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.73
Rot. Bonds4

About N-cyclopropyl-4-fluoro-N-piperidin-4-ylbenzenesulfonamide

N-cyclopropyl-4-fluoro-N-piperidin-4-ylbenzenesulfonamide (PubChem CID 68691572) has the molecular formula C14H19FN2O2S and a molecular weight of 298.38 g/mol. Its IUPAC name is N-cyclopropyl-4-fluoro-N-piperidin-4-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-fluoro-N-piperidin-4-ylbenzenesulfonamide
PubChem CID68691572
Molecular FormulaC14H19FN2O2S
Molecular Weight298.38 g/mol
Exact Mass298.12
IUPAC NameN-cyclopropyl-4-fluoro-N-piperidin-4-ylbenzenesulfonamide
SMILESO=S(=O)(c1ccc(F)cc1)N(C1CCNCC1)C1CC1
InChIInChI=1S/C14H19FN2O2S/c15-11-1-5-14(6-2-11)20(18,19)17(12-3-4-12)13-7-9-16-10-8-13/h1-2,5-6,12-13,16H,3-4,7-10H2
InChIKeyZMLNMGBYNNDGMZ-UHFFFAOYSA-N
XLogP1.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-fluoro-N-piperidin-4-ylbenzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-fluoro-N-piperidin-4-ylbenzenesulfonamide (CID 68691572) is N-cyclopropyl-4-fluoro-N-piperidin-4-ylbenzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-fluoro-N-piperidin-4-ylbenzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-fluoro-N-piperidin-4-ylbenzenesulfonamide is O=S(=O)(c1ccc(F)cc1)N(C1CCNCC1)C1CC1.
What is the InChIKey of N-cyclopropyl-4-fluoro-N-piperidin-4-ylbenzenesulfonamide?
The InChIKey is ZMLNMGBYNNDGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2S/c15-11-1-5-14(6-2-11)20(18,19)17(12-3-4-12)13-7-9-16-10-8-13/h1-2,5-6,12-13,16H,3-4,7-10H2.
What are the key properties of N-cyclopropyl-4-fluoro-N-piperidin-4-ylbenzenesulfonamide?
N-cyclopropyl-4-fluoro-N-piperidin-4-ylbenzenesulfonamide has a molecular weight of 298.38 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-fluoro-N-piperidin-4-ylbenzenesulfonamide is sourced from PubChem (CID 68691572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).