3-(benzenesulfonylmethyl)-1-(5-chloro-1H-indazol-7-yl)cyclobutan-1-ol

C18H17ClN2O3S — CID 158447617

IUPAC3-(benzenesulfonylmethyl)-1-(5-chloro-1H-indazol-7-yl)cyclobutan-1-ol
SMILESO=S(=O)(CC1CC(O)(c2cc(Cl)cc3cn[nH]c23)C1)c1ccccc1
InChIInChI=1S/C18H17ClN2O3S/c19-14-6-13-10-20-21-17(13)16(7-14)18(22)8-12(9-18)11-25(23,24)15-4-2-1-3-5-15/h1-7,10,12,22H,8-9,11H2,(H,20,21)
InChIKeyROIJPHSBGDOVRZ-UHFFFAOYSA-N
MW376.87 g/mol
LogP3.29
Rot. Bonds4

About 3-(benzenesulfonylmethyl)-1-(5-chloro-1H-indazol-7-yl)cyclobutan-1-ol

3-(benzenesulfonylmethyl)-1-(5-chloro-1H-indazol-7-yl)cyclobutan-1-ol (PubChem CID 158447617) has the molecular formula C18H17ClN2O3S and a molecular weight of 376.87 g/mol. Its IUPAC name is 3-(benzenesulfonylmethyl)-1-(5-chloro-1H-indazol-7-yl)cyclobutan-1-ol.

Molecular Properties

Compound Name3-(benzenesulfonylmethyl)-1-(5-chloro-1H-indazol-7-yl)cyclobutan-1-ol
PubChem CID158447617
Molecular FormulaC18H17ClN2O3S
Molecular Weight376.87 g/mol
Exact Mass376.06
IUPAC Name3-(benzenesulfonylmethyl)-1-(5-chloro-1H-indazol-7-yl)cyclobutan-1-ol
SMILESO=S(=O)(CC1CC(O)(c2cc(Cl)cc3cn[nH]c23)C1)c1ccccc1
InChIInChI=1S/C18H17ClN2O3S/c19-14-6-13-10-20-21-17(13)16(7-14)18(22)8-12(9-18)11-25(23,24)15-4-2-1-3-5-15/h1-7,10,12,22H,8-9,11H2,(H,20,21)
InChIKeyROIJPHSBGDOVRZ-UHFFFAOYSA-N
XLogP3.29
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.87
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,5S)-3-(5-chloro-1H-indazol-7-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]acetamide
CID 138580642
2-(benzenesulfonyl)-5-(6-chloro-1H-indazol-4-yl)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-ol
CID 175478110
3-(5-chloro-1H-indazol-7-yl)-1-nitrosoazetidin-3-ol
CID 142311919
6-(5-chloro-1H-indazol-7-yl)-2-methylidene-2-oxo-2λ6-thiaspiro[3.3]heptan-6-ol
CID 161155626
tert-butyl 3-[2-(5-chloro-1H-indazol-7-yl)-2-hydroxyspiro[3.5]nonan-7-yl]propanoate
CID 139528407
(2,2-dibromocyclopropyl)methylsulfonylbenzene
CID 611296
(1S,5R)-3-(6-chloro-1H-indazol-4-yl)bicyclo[3.1.0]hexane-3,6-diol
CID 155231247
N-(5-chloro-1H-indazol-7-yl)acetamide
CID 119088127
1-[5-(trifluoromethyl)-1H-indazol-7-yl]cyclohexan-1-ol
CID 134373965
(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-6-(ethylsulfamoylamino)bicyclo[3.1.0]hexan-3-ol
CID 138580508
(4R)-4-(benzenesulfonylmethyl)azetidin-2-one
CID 139898279
N-[(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3-(methanesulfonamido)benzamide
CID 138580392

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonylmethyl)-1-(5-chloro-1H-indazol-7-yl)cyclobutan-1-ol?
The IUPAC name of 3-(benzenesulfonylmethyl)-1-(5-chloro-1H-indazol-7-yl)cyclobutan-1-ol (CID 158447617) is 3-(benzenesulfonylmethyl)-1-(5-chloro-1H-indazol-7-yl)cyclobutan-1-ol.
What is the SMILES notation for 3-(benzenesulfonylmethyl)-1-(5-chloro-1H-indazol-7-yl)cyclobutan-1-ol?
The canonical SMILES for 3-(benzenesulfonylmethyl)-1-(5-chloro-1H-indazol-7-yl)cyclobutan-1-ol is O=S(=O)(CC1CC(O)(c2cc(Cl)cc3cn[nH]c23)C1)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonylmethyl)-1-(5-chloro-1H-indazol-7-yl)cyclobutan-1-ol?
The InChIKey is ROIJPHSBGDOVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3S/c19-14-6-13-10-20-21-17(13)16(7-14)18(22)8-12(9-18)11-25(23,24)15-4-2-1-3-5-15/h1-7,10,12,22H,8-9,11H2,(H,20,21).
What are the key properties of 3-(benzenesulfonylmethyl)-1-(5-chloro-1H-indazol-7-yl)cyclobutan-1-ol?
3-(benzenesulfonylmethyl)-1-(5-chloro-1H-indazol-7-yl)cyclobutan-1-ol has a molecular weight of 376.87 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonylmethyl)-1-(5-chloro-1H-indazol-7-yl)cyclobutan-1-ol is sourced from PubChem (CID 158447617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).