4-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzenesulfonamide

C15H23FN2O2S — CID 106631281

IUPAC4-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzenesulfonamide
SMILESCCCN(CC1CCCNC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H23FN2O2S/c1-2-10-18(12-13-4-3-9-17-11-13)21(19,20)15-7-5-14(16)6-8-15/h5-8,13,17H,2-4,9-12H2,1H3
InChIKeyVCYMEUCEIVTOCN-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.23
Rot. Bonds6

About 4-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzenesulfonamide

4-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzenesulfonamide (PubChem CID 106631281) has the molecular formula C15H23FN2O2S and a molecular weight of 314.43 g/mol. Its IUPAC name is 4-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzenesulfonamide
PubChem CID106631281
Molecular FormulaC15H23FN2O2S
Molecular Weight314.43 g/mol
Exact Mass314.15
IUPAC Name4-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzenesulfonamide
SMILESCCCN(CC1CCCNC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H23FN2O2S/c1-2-10-18(12-13-4-3-9-17-11-13)21(19,20)15-7-5-14(16)6-8-15/h5-8,13,17H,2-4,9-12H2,1H3
InChIKeyVCYMEUCEIVTOCN-UHFFFAOYSA-N
XLogP2.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyano-N-(piperidin-3-ylmethyl)-N-propylthiophene-2-sulfonamide
CID 106273114
N-(piperidin-3-ylmethyl)-N-propylcyclopentanesulfonamide
CID 106631385
3-[[methylsulfamoyl(propyl)amino]methyl]piperidine
CID 106631336
1-cyclohexyl-N-(piperidin-3-ylmethyl)-N-propylmethanesulfonamide
CID 106631342
N-(piperidin-3-ylmethyl)-N-propylbutane-1-sulfonamide
CID 106631296
4-[piperidin-3-ylmethyl(propyl)amino]benzenesulfonamide
CID 106643953
N-ethyl-4-fluoro-N-propylbenzenesulfonamide
CID 43414951
5-bromo-4-chloro-N-(piperidin-3-ylmethyl)-N-propylthiophene-2-sulfonamide
CID 106631369
N-(cyclopropylmethyl)-4-methyl-N-propylbenzenesulfonamide
CID 23996210
4-bromo-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 106630836
1-cyano-N-(piperidin-3-ylmethyl)-N-propylmethanesulfonamide
CID 106631368
N-(cyclopropylmethyl)-4-ethyl-N-propylbenzenesulfonamide
CID 3449691

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzenesulfonamide (CID 106631281) is 4-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzenesulfonamide is CCCN(CC1CCCNC1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzenesulfonamide?
The InChIKey is VCYMEUCEIVTOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2S/c1-2-10-18(12-13-4-3-9-17-11-13)21(19,20)15-7-5-14(16)6-8-15/h5-8,13,17H,2-4,9-12H2,1H3.
What are the key properties of 4-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzenesulfonamide?
4-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzenesulfonamide has a molecular weight of 314.43 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzenesulfonamide is sourced from PubChem (CID 106631281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).