3-fluoro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]propane-1-sulfonamide

C10H16FNO3S2 — CID 97258053

IUPAC3-fluoro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]propane-1-sulfonamide
SMILESC[C@](O)(CNS(=O)(=O)CCCF)c1cccs1
InChIInChI=1S/C10H16FNO3S2/c1-10(13,9-4-2-6-16-9)8-12-17(14,15)7-3-5-11/h2,4,6,12-13H,3,5,7-8H2,1H3/t10-/m0/s1
InChIKeyMZCADTHIDWETDD-JTQLQIEISA-N
MW281.37 g/mol
LogP1.23
Rot. Bonds7

About 3-fluoro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]propane-1-sulfonamide

3-fluoro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]propane-1-sulfonamide (PubChem CID 97258053) has the molecular formula C10H16FNO3S2 and a molecular weight of 281.37 g/mol. Its IUPAC name is 3-fluoro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]propane-1-sulfonamide
PubChem CID97258053
Molecular FormulaC10H16FNO3S2
Molecular Weight281.37 g/mol
Exact Mass281.06
IUPAC Name3-fluoro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]propane-1-sulfonamide
SMILESC[C@](O)(CNS(=O)(=O)CCCF)c1cccs1
InChIInChI=1S/C10H16FNO3S2/c1-10(13,9-4-2-6-16-9)8-12-17(14,15)7-3-5-11/h2,4,6,12-13H,3,5,7-8H2,1H3/t10-/m0/s1
InChIKeyMZCADTHIDWETDD-JTQLQIEISA-N
XLogP1.23
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-thiophen-2-ylpropyl)butane-1-sulfonamide
CID 71782464
N-(2-hydroxy-2-thiophen-2-ylpropyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 71796922
(E)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-phenylethenesulfonamide
CID 90500202
N-(2-hydroxy-2-thiophen-2-ylpropyl)pyridine-3-sulfonamide
CID 71782466
3,3,3-trifluoro-N-(2-hydroxy-2,2-dithiophen-2-ylethyl)propane-1-sulfonamide
CID 119101170
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,2-dimethylpropanamide
CID 71782337
methyl N-(2-hydroxy-2-thiophen-2-ylpropyl)carbamate
CID 90499737
N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 95983491
2,3-difluoro-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide
CID 111441795
N-(2-hydroxy-2-thiophen-2-ylpropyl)pentanamide
CID 90499744
3-chloro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-4-methoxybenzenesulfonamide
CID 95983496
N-(2-hydroxy-2,2-dithiophen-2-ylethyl)-2-(4-methoxyphenyl)ethanesulfonamide
CID 121016498

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]propane-1-sulfonamide?
The IUPAC name of 3-fluoro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]propane-1-sulfonamide (CID 97258053) is 3-fluoro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]propane-1-sulfonamide.
What is the SMILES notation for 3-fluoro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]propane-1-sulfonamide?
The canonical SMILES for 3-fluoro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]propane-1-sulfonamide is C[C@](O)(CNS(=O)(=O)CCCF)c1cccs1.
What is the InChIKey of 3-fluoro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]propane-1-sulfonamide?
The InChIKey is MZCADTHIDWETDD-JTQLQIEISA-N. The full InChI is InChI=1S/C10H16FNO3S2/c1-10(13,9-4-2-6-16-9)8-12-17(14,15)7-3-5-11/h2,4,6,12-13H,3,5,7-8H2,1H3/t10-/m0/s1.
What are the key properties of 3-fluoro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]propane-1-sulfonamide?
3-fluoro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]propane-1-sulfonamide has a molecular weight of 281.37 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]propane-1-sulfonamide is sourced from PubChem (CID 97258053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).