4-ethoxy-3-fluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide

C20H25FN2O4S — CID 16892743

IUPAC4-ethoxy-3-fluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCN2CCOC(c3ccccc3)C2)cc1F
InChIInChI=1S/C20H25FN2O4S/c1-2-26-19-9-8-17(14-18(19)21)28(24,25)22-10-11-23-12-13-27-20(15-23)16-6-4-3-5-7-16/h3-9,14,20,22H,2,10-13,15H2,1H3
InChIKeySCJBYDWVKXONIZ-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.58
Rot. Bonds8

About 4-ethoxy-3-fluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide

4-ethoxy-3-fluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide (PubChem CID 16892743) has the molecular formula C20H25FN2O4S and a molecular weight of 408.50 g/mol. Its IUPAC name is 4-ethoxy-3-fluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-3-fluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
PubChem CID16892743
Molecular FormulaC20H25FN2O4S
Molecular Weight408.50 g/mol
Exact Mass408.15
IUPAC Name4-ethoxy-3-fluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCN2CCOC(c3ccccc3)C2)cc1F
InChIInChI=1S/C20H25FN2O4S/c1-2-26-19-9-8-17(14-18(19)21)28(24,25)22-10-11-23-12-13-27-20(15-23)16-6-4-3-5-7-16/h3-9,14,20,22H,2,10-13,15H2,1H3
InChIKeySCJBYDWVKXONIZ-UHFFFAOYSA-N
XLogP2.58
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-3-[[4-[(4-fluorophenyl)methoxy]phenyl]sulfonylamino]-N-hydroxy-2-piperidin-1-ylpropanamide
CID 49854406
4-fluoro-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
CID 71454999
4-fluoro-N-[8-[2-(3-propan-2-ylphenoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzenesulfonamide
CID 127025243
4-fluoro-N-[1-[3-(2-propan-2-ylphenoxy)propyl]piperidin-4-yl]benzenesulfonamide
CID 145974189
3,4-difluoro-N-((1r,4r)-4-(4-(2-isopropoxyphenyl)piperidin-1-yl)cyclohexyl)benzenesulfonamide
CID 11857639
3,4-difluoro-N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzenesulfonamide
CID 71449643
4-methoxy-N-[2-(4-morpholinyl)-2-oxoethyl]-N-(2-phenylethyl)benzenesulfonamide
CID 1092325
1-(4-Methylphenyl)sulfonyl-4-(2-phenoxyethyl)piperazine
CID 2747482
4-[2-(4-benzyl-1-piperazinyl)-2-oxoethoxy]-N-propylbenzenesulfonamide
CID 2954987
N-[2-(4-methoxyphenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 2997539
N-[2-(4-methoxyphenyl)ethyl]-2-[2-methyl-4-(morpholin-4-ylsulfonyl)phenoxy]acetamide
CID 6495047
1-(3-Fluoro-4-methoxy-benzenesulfonyl)-4-((E)-3-phenyl-allyl)-piperazine
CID 6501571

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-fluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-3-fluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide (CID 16892743) is 4-ethoxy-3-fluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-3-fluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-3-fluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)NCCN2CCOC(c3ccccc3)C2)cc1F.
What is the InChIKey of 4-ethoxy-3-fluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide?
The InChIKey is SCJBYDWVKXONIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O4S/c1-2-26-19-9-8-17(14-18(19)21)28(24,25)22-10-11-23-12-13-27-20(15-23)16-6-4-3-5-7-16/h3-9,14,20,22H,2,10-13,15H2,1H3.
What are the key properties of 4-ethoxy-3-fluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide?
4-ethoxy-3-fluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide has a molecular weight of 408.50 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-fluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 16892743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).