2,5-difluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide

C18H20F2N2O3S — CID 16892680

IUPAC2,5-difluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCN1CCOC(c2ccccc2)C1)c1cc(F)ccc1F
InChIInChI=1S/C18H20F2N2O3S/c19-15-6-7-16(20)18(12-15)26(23,24)21-8-9-22-10-11-25-17(13-22)14-4-2-1-3-5-14/h1-7,12,17,21H,8-11,13H2
InChIKeySQXZQFHVWFVFHE-UHFFFAOYSA-N
MW382.43 g/mol
LogP2.32
Rot. Bonds6

About 2,5-difluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide

2,5-difluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide (PubChem CID 16892680) has the molecular formula C18H20F2N2O3S and a molecular weight of 382.43 g/mol. Its IUPAC name is 2,5-difluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
PubChem CID16892680
Molecular FormulaC18H20F2N2O3S
Molecular Weight382.43 g/mol
Exact Mass382.12
IUPAC Name2,5-difluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCN1CCOC(c2ccccc2)C1)c1cc(F)ccc1F
InChIInChI=1S/C18H20F2N2O3S/c19-15-6-7-16(20)18(12-15)26(23,24)21-8-9-22-10-11-25-17(13-22)14-4-2-1-3-5-14/h1-7,12,17,21H,8-11,13H2
InChIKeySQXZQFHVWFVFHE-UHFFFAOYSA-N
XLogP2.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide (CID 16892680) is 2,5-difluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide is O=S(=O)(NCCN1CCOC(c2ccccc2)C1)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide?
The InChIKey is SQXZQFHVWFVFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O3S/c19-15-6-7-16(20)18(12-15)26(23,24)21-8-9-22-10-11-25-17(13-22)14-4-2-1-3-5-14/h1-7,12,17,21H,8-11,13H2.
What are the key properties of 2,5-difluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide?
2,5-difluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide has a molecular weight of 382.43 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 16892680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).