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

C16H18F2N2O3S2 — CID 30835869

IUPAC2,5-difluoro-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@H](c1cccs1)N1CCOCC1)c1cc(F)ccc1F
InChIInChI=1S/C16H18F2N2O3S2/c17-12-3-4-13(18)16(10-12)25(21,22)19-11-14(15-2-1-9-24-15)20-5-7-23-8-6-20/h1-4,9-10,14,19H,5-8,11H2/t14-/m1/s1
InChIKeyOJLPCNHEMSGSIN-CQSZACIVSA-N
MW388.46 g/mol
LogP2.38
Rot. Bonds6

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

2,5-difluoro-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzenesulfonamide (PubChem CID 30835869) has the molecular formula C16H18F2N2O3S2 and a molecular weight of 388.46 g/mol. Its IUPAC name is 2,5-difluoro-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzenesulfonamide
PubChem CID30835869
Molecular FormulaC16H18F2N2O3S2
Molecular Weight388.46 g/mol
Exact Mass388.07
IUPAC Name2,5-difluoro-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@H](c1cccs1)N1CCOCC1)c1cc(F)ccc1F
InChIInChI=1S/C16H18F2N2O3S2/c17-12-3-4-13(18)16(10-12)25(21,22)19-11-14(15-2-1-9-24-15)20-5-7-23-8-6-20/h1-4,9-10,14,19H,5-8,11H2/t14-/m1/s1
InChIKeyOJLPCNHEMSGSIN-CQSZACIVSA-N
XLogP2.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)thiophene-2-sulfonamide
CID 45003189
2-fluoro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzenesulfonamide
CID 78786892
3-chloro-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 30835865
2,4-difluoro-N-[(2R)-2-morpholin-4-yl-2-phenylethyl]benzenesulfonamide
CID 94008610
N'-(2,5-difluorophenyl)-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]oxamide
CID 30835121
2,4,6-trimethyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 31463096
2,4-difluoro-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 92787138
2,5-difluoro-N-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 16907692
N-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]thiophene-2-sulfonamide
CID 52507194
5-chloro-2-fluoro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 18148637
2,5-difluoro-N-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 94783675
4-(2,5-difluorophenyl)-N'-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperazine-1-carboximidamide
CID 109450457

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzenesulfonamide (CID 30835869) is 2,5-difluoro-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzenesulfonamide is O=S(=O)(NC[C@H](c1cccs1)N1CCOCC1)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzenesulfonamide?
The InChIKey is OJLPCNHEMSGSIN-CQSZACIVSA-N. The full InChI is InChI=1S/C16H18F2N2O3S2/c17-12-3-4-13(18)16(10-12)25(21,22)19-11-14(15-2-1-9-24-15)20-5-7-23-8-6-20/h1-4,9-10,14,19H,5-8,11H2/t14-/m1/s1.
What are the key properties of 2,5-difluoro-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzenesulfonamide?
2,5-difluoro-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzenesulfonamide has a molecular weight of 388.46 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzenesulfonamide is sourced from PubChem (CID 30835869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).