4-ethoxy-3-fluoro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide

C17H27FN2O3S — CID 16887578

IUPAC4-ethoxy-3-fluoro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCC2CCN(C(C)C)CC2)cc1F
InChIInChI=1S/C17H27FN2O3S/c1-4-23-17-6-5-15(11-16(17)18)24(21,22)19-12-14-7-9-20(10-8-14)13(2)3/h5-6,11,13-14,19H,4,7-10,12H2,1-3H3
InChIKeyCXEFHHCBFHJUMG-UHFFFAOYSA-N
MW358.48 g/mol
LogP2.62
Rot. Bonds7

About 4-ethoxy-3-fluoro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide

4-ethoxy-3-fluoro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide (PubChem CID 16887578) has the molecular formula C17H27FN2O3S and a molecular weight of 358.48 g/mol. Its IUPAC name is 4-ethoxy-3-fluoro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-3-fluoro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
PubChem CID16887578
Molecular FormulaC17H27FN2O3S
Molecular Weight358.48 g/mol
Exact Mass358.17
IUPAC Name4-ethoxy-3-fluoro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCC2CCN(C(C)C)CC2)cc1F
InChIInChI=1S/C17H27FN2O3S/c1-4-23-17-6-5-15(11-16(17)18)24(21,22)19-12-14-7-9-20(10-8-14)13(2)3/h5-6,11,13-14,19H,4,7-10,12H2,1-3H3
InChIKeyCXEFHHCBFHJUMG-UHFFFAOYSA-N
XLogP2.62
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-fluoro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-3-fluoro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide (CID 16887578) is 4-ethoxy-3-fluoro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-3-fluoro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-3-fluoro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)NCC2CCN(C(C)C)CC2)cc1F.
What is the InChIKey of 4-ethoxy-3-fluoro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide?
The InChIKey is CXEFHHCBFHJUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O3S/c1-4-23-17-6-5-15(11-16(17)18)24(21,22)19-12-14-7-9-20(10-8-14)13(2)3/h5-6,11,13-14,19H,4,7-10,12H2,1-3H3.
What are the key properties of 4-ethoxy-3-fluoro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide?
4-ethoxy-3-fluoro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide has a molecular weight of 358.48 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-fluoro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 16887578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).