N-ethyl-4-fluoro-2-methyl-N-piperidin-3-ylbenzenesulfonamide

C14H21FN2O2S — CID 60805705

IUPACN-ethyl-4-fluoro-2-methyl-N-piperidin-3-ylbenzenesulfonamide
SMILESCCN(C1CCCNC1)S(=O)(=O)c1ccc(F)cc1C
InChIInChI=1S/C14H21FN2O2S/c1-3-17(13-5-4-8-16-10-13)20(18,19)14-7-6-12(15)9-11(14)2/h6-7,9,13,16H,3-5,8,10H2,1-2H3
InChIKeyPGDQXZDCFJBRSX-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.90
Rot. Bonds4

About N-ethyl-4-fluoro-2-methyl-N-piperidin-3-ylbenzenesulfonamide

N-ethyl-4-fluoro-2-methyl-N-piperidin-3-ylbenzenesulfonamide (PubChem CID 60805705) has the molecular formula C14H21FN2O2S and a molecular weight of 300.40 g/mol. Its IUPAC name is N-ethyl-4-fluoro-2-methyl-N-piperidin-3-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-fluoro-2-methyl-N-piperidin-3-ylbenzenesulfonamide
PubChem CID60805705
Molecular FormulaC14H21FN2O2S
Molecular Weight300.40 g/mol
Exact Mass300.13
IUPAC NameN-ethyl-4-fluoro-2-methyl-N-piperidin-3-ylbenzenesulfonamide
SMILESCCN(C1CCCNC1)S(=O)(=O)c1ccc(F)cc1C
InChIInChI=1S/C14H21FN2O2S/c1-3-17(13-5-4-8-16-10-13)20(18,19)14-7-6-12(15)9-11(14)2/h6-7,9,13,16H,3-5,8,10H2,1-2H3
InChIKeyPGDQXZDCFJBRSX-UHFFFAOYSA-N
XLogP1.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N,2-dimethyl-N-piperidin-3-ylbenzenesulfonamide
CID 54923408
4-chloro-N-ethyl-2-fluoro-N-piperidin-3-ylbenzenesulfonamide
CID 63636247
2-chloro-N-ethyl-4-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63299481
4-chloro-N-ethyl-2-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63299791
N-ethyl-3,4-dimethyl-N-piperidin-3-ylbenzenesulfonamide
CID 60807373
N-ethyl-2-methoxy-N-piperidin-3-ylbenzenesulfonamide
CID 63637635
N-ethyl-4-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 60806159
N-(2-bromoethyl)-N-cyclobutyl-4-fluoro-2-methylbenzenesulfonamide
CID 102873544
4-bromo-N-ethyl-2-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 116527878
2-chloro-N-ethyl-4-fluoro-N-piperidin-4-ylbenzenesulfonamide
CID 60806432
2-chloro-4-fluoro-N-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 63644245
4-fluoro-N,2-dimethyl-N-piperidin-4-ylbenzenesulfonamide
CID 43606895

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-fluoro-2-methyl-N-piperidin-3-ylbenzenesulfonamide?
The IUPAC name of N-ethyl-4-fluoro-2-methyl-N-piperidin-3-ylbenzenesulfonamide (CID 60805705) is N-ethyl-4-fluoro-2-methyl-N-piperidin-3-ylbenzenesulfonamide.
What is the SMILES notation for N-ethyl-4-fluoro-2-methyl-N-piperidin-3-ylbenzenesulfonamide?
The canonical SMILES for N-ethyl-4-fluoro-2-methyl-N-piperidin-3-ylbenzenesulfonamide is CCN(C1CCCNC1)S(=O)(=O)c1ccc(F)cc1C.
What is the InChIKey of N-ethyl-4-fluoro-2-methyl-N-piperidin-3-ylbenzenesulfonamide?
The InChIKey is PGDQXZDCFJBRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S/c1-3-17(13-5-4-8-16-10-13)20(18,19)14-7-6-12(15)9-11(14)2/h6-7,9,13,16H,3-5,8,10H2,1-2H3.
What are the key properties of N-ethyl-4-fluoro-2-methyl-N-piperidin-3-ylbenzenesulfonamide?
N-ethyl-4-fluoro-2-methyl-N-piperidin-3-ylbenzenesulfonamide has a molecular weight of 300.40 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-fluoro-2-methyl-N-piperidin-3-ylbenzenesulfonamide is sourced from PubChem (CID 60805705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).