2-[(1R,2R)-2-fluorocyclopropyl]sulfonyl-1,3-benzothiazole

C10H8FNO2S2 — CID 170903786

IUPAC2-[(1R,2R)-2-fluorocyclopropyl]sulfonyl-1,3-benzothiazole
SMILESO=S(=O)(c1nc2ccccc2s1)[C@@H]1C[C@H]1F
InChIInChI=1S/C10H8FNO2S2/c11-6-5-9(6)16(13,14)10-12-7-3-1-2-4-8(7)15-10/h1-4,6,9H,5H2/t6-,9-/m1/s1
InChIKeyCTOBZBKSNYXYJD-HZGVNTEJSA-N
MW257.31 g/mol
LogP2.18
Rot. Bonds2

About 2-[(1R,2R)-2-fluorocyclopropyl]sulfonyl-1,3-benzothiazole

2-[(1R,2R)-2-fluorocyclopropyl]sulfonyl-1,3-benzothiazole (PubChem CID 170903786) has the molecular formula C10H8FNO2S2 and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-[(1R,2R)-2-fluorocyclopropyl]sulfonyl-1,3-benzothiazole.

Molecular Properties

Compound Name2-[(1R,2R)-2-fluorocyclopropyl]sulfonyl-1,3-benzothiazole
PubChem CID170903786
Molecular FormulaC10H8FNO2S2
Molecular Weight257.31 g/mol
Exact Mass257.00
IUPAC Name2-[(1R,2R)-2-fluorocyclopropyl]sulfonyl-1,3-benzothiazole
SMILESO=S(=O)(c1nc2ccccc2s1)[C@@H]1C[C@H]1F
InChIInChI=1S/C10H8FNO2S2/c11-6-5-9(6)16(13,14)10-12-7-3-1-2-4-8(7)15-10/h1-4,6,9H,5H2/t6-,9-/m1/s1
InChIKeyCTOBZBKSNYXYJD-HZGVNTEJSA-N
XLogP2.18
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentylsulfonyl-1,3-benzothiazole
CID 101459308
2-piperidin-3-ylsulfonyl-1,3-benzothiazole
CID 71645533
2-(cyclopropylmethylsulfonyl)-1,3-benzothiazole
CID 18697962
4-(1,3-benzothiazol-2-ylsulfonyl)piperidine-1-carboxylic acid
CID 69184230
potassium;1,3-benzothiazole-2-sulfonate;hydrate
CID 44726049
1,3-benzothiazole-2-sulfonohydrazide
CID 163739886
N-piperidin-4-yl-1,3-benzothiazole-2-sulfonamide
CID 71645908
2-[1,3-benzothiazol-2-ylsulfonyl(dideuterio)methyl]-1,3-benzothiazole
CID 56955628
2-[(Z)-2-(benzenesulfonyl)ethenyl]sulfonyl-1,3-benzothiazole
CID 155105423
N-(diphosphanyl)-1,3-benzothiazole-2-sulfonamide
CID 59552462
2-prop-2-enylsulfonyl-1,3-benzothiazole
CID 701066
2-(1-phenylethylsulfonyl)-1,3-benzothiazole
CID 13383609

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R)-2-fluorocyclopropyl]sulfonyl-1,3-benzothiazole?
The IUPAC name of 2-[(1R,2R)-2-fluorocyclopropyl]sulfonyl-1,3-benzothiazole (CID 170903786) is 2-[(1R,2R)-2-fluorocyclopropyl]sulfonyl-1,3-benzothiazole.
What is the SMILES notation for 2-[(1R,2R)-2-fluorocyclopropyl]sulfonyl-1,3-benzothiazole?
The canonical SMILES for 2-[(1R,2R)-2-fluorocyclopropyl]sulfonyl-1,3-benzothiazole is O=S(=O)(c1nc2ccccc2s1)[C@@H]1C[C@H]1F.
What is the InChIKey of 2-[(1R,2R)-2-fluorocyclopropyl]sulfonyl-1,3-benzothiazole?
The InChIKey is CTOBZBKSNYXYJD-HZGVNTEJSA-N. The full InChI is InChI=1S/C10H8FNO2S2/c11-6-5-9(6)16(13,14)10-12-7-3-1-2-4-8(7)15-10/h1-4,6,9H,5H2/t6-,9-/m1/s1.
What are the key properties of 2-[(1R,2R)-2-fluorocyclopropyl]sulfonyl-1,3-benzothiazole?
2-[(1R,2R)-2-fluorocyclopropyl]sulfonyl-1,3-benzothiazole has a molecular weight of 257.31 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R)-2-fluorocyclopropyl]sulfonyl-1,3-benzothiazole is sourced from PubChem (CID 170903786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).