N-[(1R,5S)-3-hydroxy-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-6-bicyclo[3.1.0]hexanyl]methanesulfonamide

C15H16F3N3O3S — CID 155231273

IUPACN-[(1R,5S)-3-hydroxy-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-6-bicyclo[3.1.0]hexanyl]methanesulfonamide
SMILESCS(=O)(=O)NC1[C@H]2CC(O)(c3cc(C(F)(F)F)cc4[nH]ncc34)C[C@@H]12
InChIInChI=1S/C15H16F3N3O3S/c1-25(23,24)21-13-8-4-14(22,5-9(8)13)11-2-7(15(16,17)18)3-12-10(11)6-19-20-12/h2-3,6,8-9,13,21-22H,4-5H2,1H3,(H,19,20)/t8-,9+,13?,14?
InChIKeyYLCZSQAYYKDVKQ-QUJNKJAPSA-N
MW375.37 g/mol
LogP1.73
Rot. Bonds3

About N-[(1R,5S)-3-hydroxy-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-6-bicyclo[3.1.0]hexanyl]methanesulfonamide

N-[(1R,5S)-3-hydroxy-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-6-bicyclo[3.1.0]hexanyl]methanesulfonamide (PubChem CID 155231273) has the molecular formula C15H16F3N3O3S and a molecular weight of 375.37 g/mol. Its IUPAC name is N-[(1R,5S)-3-hydroxy-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-6-bicyclo[3.1.0]hexanyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1R,5S)-3-hydroxy-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-6-bicyclo[3.1.0]hexanyl]methanesulfonamide
PubChem CID155231273
Molecular FormulaC15H16F3N3O3S
Molecular Weight375.37 g/mol
Exact Mass375.09
IUPAC NameN-[(1R,5S)-3-hydroxy-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-6-bicyclo[3.1.0]hexanyl]methanesulfonamide
SMILESCS(=O)(=O)NC1[C@H]2CC(O)(c3cc(C(F)(F)F)cc4[nH]ncc34)C[C@@H]12
InChIInChI=1S/C15H16F3N3O3S/c1-25(23,24)21-13-8-4-14(22,5-9(8)13)11-2-7(15(16,17)18)3-12-10(11)6-19-20-12/h2-3,6,8-9,13,21-22H,4-5H2,1H3,(H,19,20)/t8-,9+,13?,14?
InChIKeyYLCZSQAYYKDVKQ-QUJNKJAPSA-N
XLogP1.73
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.37
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,5S)-3-hydroxy-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-6-bicyclo[3.1.0]hexanyl]methanesulfonamide?
The IUPAC name of N-[(1R,5S)-3-hydroxy-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-6-bicyclo[3.1.0]hexanyl]methanesulfonamide (CID 155231273) is N-[(1R,5S)-3-hydroxy-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-6-bicyclo[3.1.0]hexanyl]methanesulfonamide.
What is the SMILES notation for N-[(1R,5S)-3-hydroxy-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-6-bicyclo[3.1.0]hexanyl]methanesulfonamide?
The canonical SMILES for N-[(1R,5S)-3-hydroxy-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-6-bicyclo[3.1.0]hexanyl]methanesulfonamide is CS(=O)(=O)NC1[C@H]2CC(O)(c3cc(C(F)(F)F)cc4[nH]ncc34)C[C@@H]12.
What is the InChIKey of N-[(1R,5S)-3-hydroxy-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-6-bicyclo[3.1.0]hexanyl]methanesulfonamide?
The InChIKey is YLCZSQAYYKDVKQ-QUJNKJAPSA-N. The full InChI is InChI=1S/C15H16F3N3O3S/c1-25(23,24)21-13-8-4-14(22,5-9(8)13)11-2-7(15(16,17)18)3-12-10(11)6-19-20-12/h2-3,6,8-9,13,21-22H,4-5H2,1H3,(H,19,20)/t8-,9+,13?,14?.
What are the key properties of N-[(1R,5S)-3-hydroxy-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-6-bicyclo[3.1.0]hexanyl]methanesulfonamide?
N-[(1R,5S)-3-hydroxy-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-6-bicyclo[3.1.0]hexanyl]methanesulfonamide has a molecular weight of 375.37 g/mol, XLogP of 1.73, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5S)-3-hydroxy-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-6-bicyclo[3.1.0]hexanyl]methanesulfonamide is sourced from PubChem (CID 155231273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).