(1R,5S)-6-(methylsulfamoylamino)-3-[6-(trifluoromethyl)-1H-indazol-4-yl]bicyclo[3.1.0]hexan-3-ol

C15H17F3N4O3S — CID 138580523

IUPAC(1R,5S)-6-(methylsulfamoylamino)-3-[6-(trifluoromethyl)-1H-indazol-4-yl]bicyclo[3.1.0]hexan-3-ol
SMILESCNS(=O)(=O)NC1[C@H]2CC(O)(c3cc(C(F)(F)F)cc4[nH]ncc34)C[C@@H]12
InChIInChI=1S/C15H17F3N4O3S/c1-19-26(24,25)22-13-8-4-14(23,5-9(8)13)11-2-7(15(16,17)18)3-12-10(11)6-20-21-12/h2-3,6,8-9,13,19,22-23H,4-5H2,1H3,(H,20,21)/t8-,9+,13?,14?
InChIKeyVIMODSUSFZOSFZ-QUJNKJAPSA-N
MW390.39 g/mol
LogP1.23
Rot. Bonds4

About (1R,5S)-6-(methylsulfamoylamino)-3-[6-(trifluoromethyl)-1H-indazol-4-yl]bicyclo[3.1.0]hexan-3-ol

(1R,5S)-6-(methylsulfamoylamino)-3-[6-(trifluoromethyl)-1H-indazol-4-yl]bicyclo[3.1.0]hexan-3-ol (PubChem CID 138580523) has the molecular formula C15H17F3N4O3S and a molecular weight of 390.39 g/mol. Its IUPAC name is (1R,5S)-6-(methylsulfamoylamino)-3-[6-(trifluoromethyl)-1H-indazol-4-yl]bicyclo[3.1.0]hexan-3-ol.

Molecular Properties

Compound Name(1R,5S)-6-(methylsulfamoylamino)-3-[6-(trifluoromethyl)-1H-indazol-4-yl]bicyclo[3.1.0]hexan-3-ol
PubChem CID138580523
Molecular FormulaC15H17F3N4O3S
Molecular Weight390.39 g/mol
Exact Mass390.10
IUPAC Name(1R,5S)-6-(methylsulfamoylamino)-3-[6-(trifluoromethyl)-1H-indazol-4-yl]bicyclo[3.1.0]hexan-3-ol
SMILESCNS(=O)(=O)NC1[C@H]2CC(O)(c3cc(C(F)(F)F)cc4[nH]ncc34)C[C@@H]12
InChIInChI=1S/C15H17F3N4O3S/c1-19-26(24,25)22-13-8-4-14(23,5-9(8)13)11-2-7(15(16,17)18)3-12-10(11)6-20-21-12/h2-3,6,8-9,13,19,22-23H,4-5H2,1H3,(H,20,21)/t8-,9+,13?,14?
InChIKeyVIMODSUSFZOSFZ-QUJNKJAPSA-N
XLogP1.23
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 51.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-6-(methylsulfamoylamino)-3-[6-(trifluoromethyl)-1H-indazol-4-yl]bicyclo[3.1.0]hexan-3-ol?
The IUPAC name of (1R,5S)-6-(methylsulfamoylamino)-3-[6-(trifluoromethyl)-1H-indazol-4-yl]bicyclo[3.1.0]hexan-3-ol (CID 138580523) is (1R,5S)-6-(methylsulfamoylamino)-3-[6-(trifluoromethyl)-1H-indazol-4-yl]bicyclo[3.1.0]hexan-3-ol.
What is the SMILES notation for (1R,5S)-6-(methylsulfamoylamino)-3-[6-(trifluoromethyl)-1H-indazol-4-yl]bicyclo[3.1.0]hexan-3-ol?
The canonical SMILES for (1R,5S)-6-(methylsulfamoylamino)-3-[6-(trifluoromethyl)-1H-indazol-4-yl]bicyclo[3.1.0]hexan-3-ol is CNS(=O)(=O)NC1[C@H]2CC(O)(c3cc(C(F)(F)F)cc4[nH]ncc34)C[C@@H]12.
What is the InChIKey of (1R,5S)-6-(methylsulfamoylamino)-3-[6-(trifluoromethyl)-1H-indazol-4-yl]bicyclo[3.1.0]hexan-3-ol?
The InChIKey is VIMODSUSFZOSFZ-QUJNKJAPSA-N. The full InChI is InChI=1S/C15H17F3N4O3S/c1-19-26(24,25)22-13-8-4-14(23,5-9(8)13)11-2-7(15(16,17)18)3-12-10(11)6-20-21-12/h2-3,6,8-9,13,19,22-23H,4-5H2,1H3,(H,20,21)/t8-,9+,13?,14?.
What are the key properties of (1R,5S)-6-(methylsulfamoylamino)-3-[6-(trifluoromethyl)-1H-indazol-4-yl]bicyclo[3.1.0]hexan-3-ol?
(1R,5S)-6-(methylsulfamoylamino)-3-[6-(trifluoromethyl)-1H-indazol-4-yl]bicyclo[3.1.0]hexan-3-ol has a molecular weight of 390.39 g/mol, XLogP of 1.23, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-6-(methylsulfamoylamino)-3-[6-(trifluoromethyl)-1H-indazol-4-yl]bicyclo[3.1.0]hexan-3-ol is sourced from PubChem (CID 138580523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).