2-fluoro-5-methyl-N-(2-piperidin-4-yloxyethyl)benzenesulfonamide

C14H21FN2O3S — CID 63871828

IUPAC2-fluoro-5-methyl-N-(2-piperidin-4-yloxyethyl)benzenesulfonamide
SMILESCc1ccc(F)c(S(=O)(=O)NCCOC2CCNCC2)c1
InChIInChI=1S/C14H21FN2O3S/c1-11-2-3-13(15)14(10-11)21(18,19)17-8-9-20-12-4-6-16-7-5-12/h2-3,10,12,16-17H,4-9H2,1H3
InChIKeyQJIJXJZSOKCSNN-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.18
Rot. Bonds6

About 2-fluoro-5-methyl-N-(2-piperidin-4-yloxyethyl)benzenesulfonamide

2-fluoro-5-methyl-N-(2-piperidin-4-yloxyethyl)benzenesulfonamide (PubChem CID 63871828) has the molecular formula C14H21FN2O3S and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-fluoro-5-methyl-N-(2-piperidin-4-yloxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-5-methyl-N-(2-piperidin-4-yloxyethyl)benzenesulfonamide
PubChem CID63871828
Molecular FormulaC14H21FN2O3S
Molecular Weight316.40 g/mol
Exact Mass316.13
IUPAC Name2-fluoro-5-methyl-N-(2-piperidin-4-yloxyethyl)benzenesulfonamide
SMILESCc1ccc(F)c(S(=O)(=O)NCCOC2CCNCC2)c1
InChIInChI=1S/C14H21FN2O3S/c1-11-2-3-13(15)14(10-11)21(18,19)17-8-9-20-12-4-6-16-7-5-12/h2-3,10,12,16-17H,4-9H2,1H3
InChIKeyQJIJXJZSOKCSNN-UHFFFAOYSA-N
XLogP1.18
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-(2-piperidin-4-yloxyethyl)benzenesulfonamide
CID 63870153
5-amino-N-(2-cyclohexyloxyethyl)-2-fluorobenzenesulfonamide
CID 63823533
2-fluoro-5-methyl-N-(2-pyrrolidin-2-ylethyl)benzenesulfonamide
CID 114794247
2-bromo-N-(2-cyclopentyloxyethyl)-4-methylbenzenesulfonamide
CID 61059078
3-methyl-N-(3-piperidin-4-yloxypropyl)benzenesulfonamide
CID 63870833
2-fluoro-5-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]benzenesulfonamide
CID 94479302
2-hydroxy-4-methyl-N-(2-piperidin-4-yloxyethyl)benzamide
CID 63870104
2-fluoro-5-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzenesulfonamide;hydrochloride
CID 120721594
3-cyano-N-(2-piperidin-4-yloxyethyl)benzenesulfonamide
CID 63870489
2-fluoro-5-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 47031499
N-(2-piperidin-4-yloxyethyl)-1H-pyrazole-4-sulfonamide
CID 63871314
2-ethylsulfonyl-N-(2-piperidin-4-yloxyethyl)aniline
CID 63870510

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-N-(2-piperidin-4-yloxyethyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-5-methyl-N-(2-piperidin-4-yloxyethyl)benzenesulfonamide (CID 63871828) is 2-fluoro-5-methyl-N-(2-piperidin-4-yloxyethyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-5-methyl-N-(2-piperidin-4-yloxyethyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-5-methyl-N-(2-piperidin-4-yloxyethyl)benzenesulfonamide is Cc1ccc(F)c(S(=O)(=O)NCCOC2CCNCC2)c1.
What is the InChIKey of 2-fluoro-5-methyl-N-(2-piperidin-4-yloxyethyl)benzenesulfonamide?
The InChIKey is QJIJXJZSOKCSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3S/c1-11-2-3-13(15)14(10-11)21(18,19)17-8-9-20-12-4-6-16-7-5-12/h2-3,10,12,16-17H,4-9H2,1H3.
What are the key properties of 2-fluoro-5-methyl-N-(2-piperidin-4-yloxyethyl)benzenesulfonamide?
2-fluoro-5-methyl-N-(2-piperidin-4-yloxyethyl)benzenesulfonamide has a molecular weight of 316.40 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-N-(2-piperidin-4-yloxyethyl)benzenesulfonamide is sourced from PubChem (CID 63871828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).