N-[(2S)-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide

C20H24F3N3O2S — CID 24936160

IUPACN-[(2S)-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N[C@H]1Cc2ccc(-n3nc(C(F)(F)F)c4c3CCCC4)cc2C1
InChIInChI=1S/C20H24F3N3O2S/c1-12(2)29(27,28)25-15-9-13-7-8-16(11-14(13)10-15)26-18-6-4-3-5-17(18)19(24-26)20(21,22)23/h7-8,11-12,15,25H,3-6,9-10H2,1-2H3/t15-/m0/s1
InChIKeyGMEREKBGVCTHBE-HNNXBMFYSA-N
MW427.49 g/mol
LogP3.56
Rot. Bonds4

About N-[(2S)-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide

N-[(2S)-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide (PubChem CID 24936160) has the molecular formula C20H24F3N3O2S and a molecular weight of 427.49 g/mol. Its IUPAC name is N-[(2S)-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
PubChem CID24936160
Molecular FormulaC20H24F3N3O2S
Molecular Weight427.49 g/mol
Exact Mass427.15
IUPAC NameN-[(2S)-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N[C@H]1Cc2ccc(-n3nc(C(F)(F)F)c4c3CCCC4)cc2C1
InChIInChI=1S/C20H24F3N3O2S/c1-12(2)29(27,28)25-15-9-13-7-8-16(11-14(13)10-15)26-18-6-4-3-5-17(18)19(24-26)20(21,22)23/h7-8,11-12,15,25H,3-6,9-10H2,1-2H3/t15-/m0/s1
InChIKeyGMEREKBGVCTHBE-HNNXBMFYSA-N
XLogP3.56
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
The IUPAC name of N-[(2S)-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide (CID 24936160) is N-[(2S)-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide.
What is the SMILES notation for N-[(2S)-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
The canonical SMILES for N-[(2S)-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide is CC(C)S(=O)(=O)N[C@H]1Cc2ccc(-n3nc(C(F)(F)F)c4c3CCCC4)cc2C1.
What is the InChIKey of N-[(2S)-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
The InChIKey is GMEREKBGVCTHBE-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H24F3N3O2S/c1-12(2)29(27,28)25-15-9-13-7-8-16(11-14(13)10-15)26-18-6-4-3-5-17(18)19(24-26)20(21,22)23/h7-8,11-12,15,25H,3-6,9-10H2,1-2H3/t15-/m0/s1.
What are the key properties of N-[(2S)-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
N-[(2S)-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide has a molecular weight of 427.49 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide is sourced from PubChem (CID 24936160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).