2,5-difluoro-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide

C18H20F2N2O3S — CID 8845190

IUPAC2,5-difluoro-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide
SMILESO=S(=O)(N[C@H](CN1CCOCC1)c1ccccc1)c1cc(F)ccc1F
InChIInChI=1S/C18H20F2N2O3S/c19-15-6-7-16(20)18(12-15)26(23,24)21-17(14-4-2-1-3-5-14)13-22-8-10-25-11-9-22/h1-7,12,17,21H,8-11,13H2/t17-/m1/s1
InChIKeyPTNATXOYUNPTOM-QGZVFWFLSA-N
MW382.43 g/mol
LogP2.32
Rot. Bonds6

About 2,5-difluoro-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide

2,5-difluoro-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide (PubChem CID 8845190) has the molecular formula C18H20F2N2O3S and a molecular weight of 382.43 g/mol. Its IUPAC name is 2,5-difluoro-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide
PubChem CID8845190
Molecular FormulaC18H20F2N2O3S
Molecular Weight382.43 g/mol
Exact Mass382.12
IUPAC Name2,5-difluoro-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide
SMILESO=S(=O)(N[C@H](CN1CCOCC1)c1ccccc1)c1cc(F)ccc1F
InChIInChI=1S/C18H20F2N2O3S/c19-15-6-7-16(20)18(12-15)26(23,24)21-17(14-4-2-1-3-5-14)13-22-8-10-25-11-9-22/h1-7,12,17,21H,8-11,13H2/t17-/m1/s1
InChIKeyPTNATXOYUNPTOM-QGZVFWFLSA-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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Related Compounds

2,3,4-trifluoro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide
CID 8845093
3-chloro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide
CID 8844981
4-tert-butyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide
CID 8845033
N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 8844992
N-[(1S)-2-morpholin-4-yl-1-phenylethyl]pyrrolidine-1-sulfonamide
CID 51872327
N-[4-[[(1S)-2-morpholin-4-yl-1-phenylethyl]sulfamoyl]phenyl]acetamide
CID 8844906
(E)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-2-phenylethenesulfonamide
CID 8845009
4-methoxy-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide
CID 8844917
2-chloro-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 8844524
[(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid
CID 68931667
2-fluoro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 9149743
4-(4-fluorophenyl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-4-oxobutanamide
CID 9148546

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide (CID 8845190) is 2,5-difluoro-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide is O=S(=O)(N[C@H](CN1CCOCC1)c1ccccc1)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide?
The InChIKey is PTNATXOYUNPTOM-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H20F2N2O3S/c19-15-6-7-16(20)18(12-15)26(23,24)21-17(14-4-2-1-3-5-14)13-22-8-10-25-11-9-22/h1-7,12,17,21H,8-11,13H2/t17-/m1/s1.
What are the key properties of 2,5-difluoro-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide?
2,5-difluoro-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]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-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 8845190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).