2,5-difluoro-N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ium-4-ylethyl]benzenesulfonamide

C16H19F2N2O4S+ — CID 7243454

IUPAC2,5-difluoro-N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ium-4-ylethyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@H](c1ccco1)[NH+]1CCOCC1)c1cc(F)ccc1F
InChIInChI=1S/C16H18F2N2O4S/c17-12-3-4-13(18)16(10-12)25(21,22)19-11-14(15-2-1-7-24-15)20-5-8-23-9-6-20/h1-4,7,10,14,19H,5-6,8-9,11H2/p+1/t14-/m1/s1
InChIKeyYIJTUIBCDBWQPI-CQSZACIVSA-O
MW373.40 g/mol
LogP0.49
Rot. Bonds6

About 2,5-difluoro-N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ium-4-ylethyl]benzenesulfonamide

2,5-difluoro-N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ium-4-ylethyl]benzenesulfonamide (PubChem CID 7243454) has the molecular formula C16H19F2N2O4S+ and a molecular weight of 373.40 g/mol. Its IUPAC name is 2,5-difluoro-N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ium-4-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ium-4-ylethyl]benzenesulfonamide
PubChem CID7243454
Molecular FormulaC16H19F2N2O4S+
Molecular Weight373.40 g/mol
Exact Mass373.10
IUPAC Name2,5-difluoro-N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ium-4-ylethyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@H](c1ccco1)[NH+]1CCOCC1)c1cc(F)ccc1F
InChIInChI=1S/C16H18F2N2O4S/c17-12-3-4-13(18)16(10-12)25(21,22)19-11-14(15-2-1-7-24-15)20-5-8-23-9-6-20/h1-4,7,10,14,19H,5-6,8-9,11H2/p+1/t14-/m1/s1
InChIKeyYIJTUIBCDBWQPI-CQSZACIVSA-O
XLogP0.49
TPSA72.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-difluoro-N-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 94783675
2,5-difluoro-N-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzenesulfonamide
CID 27443402
2,5-difluoro-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 30835869
2,5-difluoro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 83030725
N-[2-[(2,5-difluorophenyl)sulfonylamino]ethyl]furan-2-carboxamide
CID 31820162
2-(4-chlorophenoxy)-N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ium-4-ylethyl]acetamide
CID 7217183
N-[(2R)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2,5-difluorobenzenesulfonamide
CID 95982384
3-[(2,5-difluorophenyl)sulfonylamino]-2-hydroxypropanamide
CID 107258385
N-[(2R)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 41193116
N'-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-(furan-2-yl)ethyl]-N-(2-hydroxyethyl)oxamide
CID 7162812
1-(4-fluorophenyl)-3-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]urea
CID 9318401
2-chloro-4-fluoro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 47022446

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ium-4-ylethyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ium-4-ylethyl]benzenesulfonamide (CID 7243454) is 2,5-difluoro-N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ium-4-ylethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ium-4-ylethyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ium-4-ylethyl]benzenesulfonamide is O=S(=O)(NC[C@H](c1ccco1)[NH+]1CCOCC1)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ium-4-ylethyl]benzenesulfonamide?
The InChIKey is YIJTUIBCDBWQPI-CQSZACIVSA-O. The full InChI is InChI=1S/C16H18F2N2O4S/c17-12-3-4-13(18)16(10-12)25(21,22)19-11-14(15-2-1-7-24-15)20-5-8-23-9-6-20/h1-4,7,10,14,19H,5-6,8-9,11H2/p+1/t14-/m1/s1.
What are the key properties of 2,5-difluoro-N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ium-4-ylethyl]benzenesulfonamide?
2,5-difluoro-N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ium-4-ylethyl]benzenesulfonamide has a molecular weight of 373.40 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ium-4-ylethyl]benzenesulfonamide is sourced from PubChem (CID 7243454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).