2-fluoro-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzenesulfonamide

C15H23FN2O2S — CID 106630902

IUPAC2-fluoro-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(CC1CCCNC1)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C15H23FN2O2S/c1-12(2)18(11-13-6-5-9-17-10-13)21(19,20)15-8-4-3-7-14(15)16/h3-4,7-8,12-13,17H,5-6,9-11H2,1-2H3
InChIKeyFPIPXVJDAAHAKT-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.22
Rot. Bonds5

About 2-fluoro-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzenesulfonamide

2-fluoro-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzenesulfonamide (PubChem CID 106630902) has the molecular formula C15H23FN2O2S and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-fluoro-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzenesulfonamide
PubChem CID106630902
Molecular FormulaC15H23FN2O2S
Molecular Weight314.43 g/mol
Exact Mass314.15
IUPAC Name2-fluoro-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(CC1CCCNC1)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C15H23FN2O2S/c1-12(2)18(11-13-6-5-9-17-10-13)21(19,20)15-8-4-3-7-14(15)16/h3-4,7-8,12-13,17H,5-6,9-11H2,1-2H3
InChIKeyFPIPXVJDAAHAKT-UHFFFAOYSA-N
XLogP2.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzenesulfonamide
CID 106630983
2,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-3-sulfonamide
CID 106630934
2,6-difluoro-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 106630731
5-bromo-2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-3-sulfonamide
CID 106630942
N-(piperidin-3-ylmethyl)-N-propan-2-ylpropane-2-sulfonamide
CID 106630952
2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrazole-3-sulfonamide
CID 106630912
5-chloro-4-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-sulfonamide
CID 106630961
N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 106631091
N-[(2-chloro-3-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106637313
1-cyclohexyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylmethanesulfonamide
CID 106630965
1-(2-fluorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106623894
2,3,4-trifluoro-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 106630762

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-fluoro-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzenesulfonamide (CID 106630902) is 2-fluoro-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzenesulfonamide is CC(C)N(CC1CCCNC1)S(=O)(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is FPIPXVJDAAHAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2S/c1-12(2)18(11-13-6-5-9-17-10-13)21(19,20)15-8-4-3-7-14(15)16/h3-4,7-8,12-13,17H,5-6,9-11H2,1-2H3.
What are the key properties of 2-fluoro-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzenesulfonamide?
2-fluoro-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 314.43 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 106630902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).