2,5-difluoro-N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide

C19H22F2N2O4S — CID 16813238

IUPAC2,5-difluoro-N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
SMILESCOc1cccc(C(CNS(=O)(=O)c2cc(F)ccc2F)N2CCOCC2)c1
InChIInChI=1S/C19H22F2N2O4S/c1-26-16-4-2-3-14(11-16)18(23-7-9-27-10-8-23)13-22-28(24,25)19-12-15(20)5-6-17(19)21/h2-6,11-12,18,22H,7-10,13H2,1H3
InChIKeyBOFFJPBCUVPHJD-UHFFFAOYSA-N
MW412.46 g/mol
LogP2.33
Rot. Bonds7

About 2,5-difluoro-N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide

2,5-difluoro-N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide (PubChem CID 16813238) has the molecular formula C19H22F2N2O4S and a molecular weight of 412.46 g/mol. Its IUPAC name is 2,5-difluoro-N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
PubChem CID16813238
Molecular FormulaC19H22F2N2O4S
Molecular Weight412.46 g/mol
Exact Mass412.13
IUPAC Name2,5-difluoro-N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
SMILESCOc1cccc(C(CNS(=O)(=O)c2cc(F)ccc2F)N2CCOCC2)c1
InChIInChI=1S/C19H22F2N2O4S/c1-26-16-4-2-3-14(11-16)18(23-7-9-27-10-8-23)13-22-28(24,25)19-12-15(20)5-6-17(19)21/h2-6,11-12,18,22H,7-10,13H2,1H3
InChIKeyBOFFJPBCUVPHJD-UHFFFAOYSA-N
XLogP2.33
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,5-difluoro-N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide (CID 16813238) is 2,5-difluoro-N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide is COc1cccc(C(CNS(=O)(=O)c2cc(F)ccc2F)N2CCOCC2)c1.
What is the InChIKey of 2,5-difluoro-N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide?
The InChIKey is BOFFJPBCUVPHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O4S/c1-26-16-4-2-3-14(11-16)18(23-7-9-27-10-8-23)13-22-28(24,25)19-12-15(20)5-6-17(19)21/h2-6,11-12,18,22H,7-10,13H2,1H3.
What are the key properties of 2,5-difluoro-N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide?
2,5-difluoro-N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide has a molecular weight of 412.46 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide is sourced from PubChem (CID 16813238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).