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

C15H19ClN4O3S — CID 138580508

IUPAC(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-6-(ethylsulfamoylamino)bicyclo[3.1.0]hexan-3-ol
SMILESCCNS(=O)(=O)NC1[C@H]2CC(O)(c3cc(Cl)cc4[nH]ncc34)C[C@@H]12
InChIInChI=1S/C15H19ClN4O3S/c1-2-18-24(22,23)20-14-9-5-15(21,6-10(9)14)12-3-8(16)4-13-11(12)7-17-19-13/h3-4,7,9-10,14,18,20-21H,2,5-6H2,1H3,(H,17,19)/t9-,10+,14?,15?
InChIKeyJGJXRHXIIQXLAU-SEGBCRLWSA-N
MW370.86 g/mol
LogP1.26
Rot. Bonds5

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

(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-6-(ethylsulfamoylamino)bicyclo[3.1.0]hexan-3-ol (PubChem CID 138580508) has the molecular formula C15H19ClN4O3S and a molecular weight of 370.86 g/mol. Its IUPAC name is (1R,5S)-3-(6-chloro-1H-indazol-4-yl)-6-(ethylsulfamoylamino)bicyclo[3.1.0]hexan-3-ol.

Molecular Properties

Compound Name(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-6-(ethylsulfamoylamino)bicyclo[3.1.0]hexan-3-ol
PubChem CID138580508
Molecular FormulaC15H19ClN4O3S
Molecular Weight370.86 g/mol
Exact Mass370.09
IUPAC Name(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-6-(ethylsulfamoylamino)bicyclo[3.1.0]hexan-3-ol
SMILESCCNS(=O)(=O)NC1[C@H]2CC(O)(c3cc(Cl)cc4[nH]ncc34)C[C@@H]12
InChIInChI=1S/C15H19ClN4O3S/c1-2-18-24(22,23)20-14-9-5-15(21,6-10(9)14)12-3-8(16)4-13-11(12)7-17-19-13/h3-4,7,9-10,14,18,20-21H,2,5-6H2,1H3,(H,17,19)/t9-,10+,14?,15?
InChIKeyJGJXRHXIIQXLAU-SEGBCRLWSA-N
XLogP1.26
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.86
LogP ≤ 51.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (1R,5S)-3-(6-chloro-1H-indazol-4-yl)-6-(ethylsulfamoylamino)bicyclo[3.1.0]hexan-3-ol with MolForge

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Launch Full Analysis

Related Compounds

1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol
CID 121320428
1-(6-chloro-1H-indazol-4-yl)-4,4-difluorocyclohexan-1-ol
CID 121326776
N-[(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3,3,3-trifluoropropanamide
CID 138580388
N-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-2,2,2-trifluoroethanesulfonamide
CID 138580390
1-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3-(4-fluorophenyl)urea
CID 138580395
(1R,5S)-6-(methylsulfamoylamino)-3-[6-(trifluoromethyl)-1H-indazol-4-yl]bicyclo[3.1.0]hexan-3-ol
CID 138580523
N-[3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3,3,3-trifluoropropanamide
CID 154696806
1-[3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3-(4-fluorophenyl)urea
CID 154696864
N-[3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-2,2,2-trifluoroethanesulfonamide
CID 154696902
N-[3-hydroxy-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-6-bicyclo[3.1.0]hexanyl]methanesulfonamide
CID 154696910
N-[(1R,5S)-3-hydroxy-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-6-bicyclo[3.1.0]hexanyl]methanesulfonamide
CID 155231273
2-(6-chloro-1H-indazol-4-yl)propan-2-ol
CID 121325910

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-(6-chloro-1H-indazol-4-yl)-6-(ethylsulfamoylamino)bicyclo[3.1.0]hexan-3-ol?
The IUPAC name of (1R,5S)-3-(6-chloro-1H-indazol-4-yl)-6-(ethylsulfamoylamino)bicyclo[3.1.0]hexan-3-ol (CID 138580508) is (1R,5S)-3-(6-chloro-1H-indazol-4-yl)-6-(ethylsulfamoylamino)bicyclo[3.1.0]hexan-3-ol.
What is the SMILES notation for (1R,5S)-3-(6-chloro-1H-indazol-4-yl)-6-(ethylsulfamoylamino)bicyclo[3.1.0]hexan-3-ol?
The canonical SMILES for (1R,5S)-3-(6-chloro-1H-indazol-4-yl)-6-(ethylsulfamoylamino)bicyclo[3.1.0]hexan-3-ol is CCNS(=O)(=O)NC1[C@H]2CC(O)(c3cc(Cl)cc4[nH]ncc34)C[C@@H]12.
What is the InChIKey of (1R,5S)-3-(6-chloro-1H-indazol-4-yl)-6-(ethylsulfamoylamino)bicyclo[3.1.0]hexan-3-ol?
The InChIKey is JGJXRHXIIQXLAU-SEGBCRLWSA-N. The full InChI is InChI=1S/C15H19ClN4O3S/c1-2-18-24(22,23)20-14-9-5-15(21,6-10(9)14)12-3-8(16)4-13-11(12)7-17-19-13/h3-4,7,9-10,14,18,20-21H,2,5-6H2,1H3,(H,17,19)/t9-,10+,14?,15?.
What are the key properties of (1R,5S)-3-(6-chloro-1H-indazol-4-yl)-6-(ethylsulfamoylamino)bicyclo[3.1.0]hexan-3-ol?
(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-6-(ethylsulfamoylamino)bicyclo[3.1.0]hexan-3-ol has a molecular weight of 370.86 g/mol, XLogP of 1.26, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-(6-chloro-1H-indazol-4-yl)-6-(ethylsulfamoylamino)bicyclo[3.1.0]hexan-3-ol is sourced from PubChem (CID 138580508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).