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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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).