4-fluoro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzenesulfonamide

C16H18FN3O3S — CID 17463217

IUPAC4-fluoro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(N2CCOCC2)nc1)c1ccc(F)cc1
InChIInChI=1S/C16H18FN3O3S/c17-14-2-4-15(5-3-14)24(21,22)19-12-13-1-6-16(18-11-13)20-7-9-23-10-8-20/h1-6,11,19H,7-10,12H2
InChIKeyRECYVXSRFIRVMD-UHFFFAOYSA-N
MW351.40 g/mol
LogP1.54
Rot. Bonds5

About 4-fluoro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzenesulfonamide

4-fluoro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzenesulfonamide (PubChem CID 17463217) has the molecular formula C16H18FN3O3S and a molecular weight of 351.40 g/mol. Its IUPAC name is 4-fluoro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzenesulfonamide
PubChem CID17463217
Molecular FormulaC16H18FN3O3S
Molecular Weight351.40 g/mol
Exact Mass351.11
IUPAC Name4-fluoro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(N2CCOCC2)nc1)c1ccc(F)cc1
InChIInChI=1S/C16H18FN3O3S/c17-14-2-4-15(5-3-14)24(21,22)19-12-13-1-6-16(18-11-13)20-7-9-23-10-8-20/h1-6,11,19H,7-10,12H2
InChIKeyRECYVXSRFIRVMD-UHFFFAOYSA-N
XLogP1.54
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzenesulfonamide (CID 17463217) is 4-fluoro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzenesulfonamide is O=S(=O)(NCc1ccc(N2CCOCC2)nc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzenesulfonamide?
The InChIKey is RECYVXSRFIRVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3S/c17-14-2-4-15(5-3-14)24(21,22)19-12-13-1-6-16(18-11-13)20-7-9-23-10-8-20/h1-6,11,19H,7-10,12H2.
What are the key properties of 4-fluoro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzenesulfonamide?
4-fluoro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzenesulfonamide has a molecular weight of 351.40 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzenesulfonamide is sourced from PubChem (CID 17463217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).