3-(benzenesulfonylmethyl)-1-(5-chloro-1H-indazol-7-yl)cyclobutan-1-ol;1-(5-chloro-1H-indazol-7-yl)-3-(cyclopropylsulfonylmethyl)cyclobutan-1-ol;4-(5-chloro-1H-indazol-7-yl)-2,2-dimethyl-1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-ol;4-(5-chloro-1H-indazol-7-yl)-1-methylidene-1-oxothian-4-ol;cyclohexyl-(5-fluoro-1H-indazol-7-yl)methanol

C76H88Cl4FN11O11S4 — CID 158447615

About 3-(benzenesulfonylmethyl)-1-(5-chloro-1H-indazol-7-yl)cyclobutan-1-ol;1-(5-chloro-1H-indazol-7-yl)-3-(cyclopropylsulfonylmethyl)cyclobutan-1-ol;4-(5-chloro-1H-indazol-7-yl)-2,2-dimethyl-1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-ol;4-(5-chloro-1H-indazol-7-yl)-1-methylidene-1-oxothian-4-ol;cyclohexyl-(5-fluoro-1H-indazol-7-yl)methanol

3-(benzenesulfonylmethyl)-1-(5-chloro-1H-indazol-7-yl)cyclobutan-1-ol;1-(5-chloro-1H-indazol-7-yl)-3-(cyclopropylsulfonylmethyl)cyclobutan-1-ol;4-(5-chloro-1H-indazol-7-yl)-2,2-dimethyl-1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-ol;4-(5-chloro-1H-indazol-7-yl)-1-methylidene-1-oxothian-4-ol;cyclohexyl-(5-fluoro-1H-indazol-7-yl)methanol (PubChem CID 158447615) has the molecular formula C76H88Cl4FN11O11S4 and a molecular weight of 1620.68 g/mol. Its IUPAC name is 3-(benzenesulfonylmethyl)-1-(5-chloro-1H-indazol-7-yl)cyclobutan-1-ol;1-(5-chloro-1H-indazol-7-yl)-3-(cyclopropylsulfonylmethyl)cyclobutan-1-ol;4-(5-chloro-1H-indazol-7-yl)-2,2-dimethyl-1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-ol;4-(5-chloro-1H-indazol-7-yl)-1-methylidene-1-oxothian-4-ol;cyclohexyl-(5-fluoro-1H-indazol-7-yl)methanol.

Molecular Properties

• Compound Name: 3-(benzenesulfonylmethyl)-1-(5-chloro-1H-indazol-7-yl)cyclobutan-1-ol;1-(5-chloro-1H-indazol-7-yl)-3-(cyclopropylsulfonylmethyl)cyclobutan-1-ol;4-(5-chloro-1H-indazol-7-yl)-2,2-dimethyl-1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-ol;4-(5-chloro-1H-indazol-7-yl)-1-methylidene-1-oxothian-4-ol;cyclohexyl-(5-fluoro-1H-indazol-7-yl)methanol
• PubChem CID: 158447615
• Molecular Formula: C76H88Cl4FN11O11S4
• Molecular Weight: 1620.68 g/mol
• Exact Mass: 1617.43
• IUPAC Name: 3-(benzenesulfonylmethyl)-1-(5-chloro-1H-indazol-7-yl)cyclobutan-1-ol;1-(5-chloro-1H-indazol-7-yl)-3-(cyclopropylsulfonylmethyl)cyclobutan-1-ol;4-(5-chloro-1H-indazol-7-yl)-2,2-dimethyl-1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-ol;4-(5-chloro-1H-indazol-7-yl)-1-methylidene-1-oxothian-4-ol;cyclohexyl-(5-fluoro-1H-indazol-7-yl)methanol
• SMILES: C=S(C)(=O)N1CCC(O)(c2cc(Cl)cc3cn[nH]c23)CC1(C)C.C=S1(=O)CCC(O)(c2cc(Cl)cc3cn[nH]c23)CC1.O=S(=O)(CC1CC(O)(c2cc(Cl)cc3cn[nH]c23)C1)C1CC1.O=S(=O)(CC1CC(O)(c2cc(Cl)cc3cn[nH]c23)C1)c1ccccc1.OC(c1cc(F)cc2cn[nH]c12)C1CCCCC1
• InChI: InChI=1S/C18H17ClN2O3S.C16H22ClN3O2S.C15H17ClN2O3S.C14H17FN2O.C13H15ClN2O2S/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;1-15(2)10-16(21,5-6-20(15)23(3,4)22)13-8-12(17)7-11-9-18-19-14(11)13;16-11-3-10-7-17-18-14(10)13(4-11)15(19)5-9(6-15)8-22(20,21)12-1-2-12;15-11-6-10-8-16-17-13(10)12(7-11)14(18)9-4-2-1-3-5-9;1-19(18)4-2-13(17,3-5-19)11-7-10(14)6-9-8-15-16-12(9)11/h1-7,10,12,22H,8-9,11H2,(H,20,21);7-9,21H,3,5-6,10H2,1-2,4H3,(H,18,19);3-4,7,9,12,19H,1-2,5-6,8H2,(H,17,18);6-9,14,18H,1-5H2,(H,16,17);6-8,17H,1-5H2,(H,15,16)
• InChIKey: HDOUHTZXBICAOT-UHFFFAOYSA-N
• XLogP: 13.45
• TPSA: 350.21 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 16
• Rotatable Bonds: 13
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1620.68
LogP ≤ 5	13.45
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonylmethyl)-1-(5-chloro-1H-indazol-7-yl)cyclobutan-1-ol;1-(5-chloro-1H-indazol-7-yl)-3-(cyclopropylsulfonylmethyl)cyclobutan-1-ol;4-(5-chloro-1H-indazol-7-yl)-2,2-dimethyl-1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-ol;4-(5-chloro-1H-indazol-7-yl)-1-methylidene-1-oxothian-4-ol;cyclohexyl-(5-fluoro-1H-indazol-7-yl)methanol?

The IUPAC name of 3-(benzenesulfonylmethyl)-1-(5-chloro-1H-indazol-7-yl)cyclobutan-1-ol;1-(5-chloro-1H-indazol-7-yl)-3-(cyclopropylsulfonylmethyl)cyclobutan-1-ol;4-(5-chloro-1H-indazol-7-yl)-2,2-dimethyl-1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-ol;4-(5-chloro-1H-indazol-7-yl)-1-methylidene-1-oxothian-4-ol;cyclohexyl-(5-fluoro-1H-indazol-7-yl)methanol (CID 158447615) is 3-(benzenesulfonylmethyl)-1-(5-chloro-1H-indazol-7-yl)cyclobutan-1-ol;1-(5-chloro-1H-indazol-7-yl)-3-(cyclopropylsulfonylmethyl)cyclobutan-1-ol;4-(5-chloro-1H-indazol-7-yl)-2,2-dimethyl-1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-ol;4-(5-chloro-1H-indazol-7-yl)-1-methylidene-1-oxothian-4-ol;cyclohexyl-(5-fluoro-1H-indazol-7-yl)methanol.

What is the SMILES notation for 3-(benzenesulfonylmethyl)-1-(5-chloro-1H-indazol-7-yl)cyclobutan-1-ol;1-(5-chloro-1H-indazol-7-yl)-3-(cyclopropylsulfonylmethyl)cyclobutan-1-ol;4-(5-chloro-1H-indazol-7-yl)-2,2-dimethyl-1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-ol;4-(5-chloro-1H-indazol-7-yl)-1-methylidene-1-oxothian-4-ol;cyclohexyl-(5-fluoro-1H-indazol-7-yl)methanol?

The canonical SMILES for 3-(benzenesulfonylmethyl)-1-(5-chloro-1H-indazol-7-yl)cyclobutan-1-ol;1-(5-chloro-1H-indazol-7-yl)-3-(cyclopropylsulfonylmethyl)cyclobutan-1-ol;4-(5-chloro-1H-indazol-7-yl)-2,2-dimethyl-1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-ol;4-(5-chloro-1H-indazol-7-yl)-1-methylidene-1-oxothian-4-ol;cyclohexyl-(5-fluoro-1H-indazol-7-yl)methanol is C=S(C)(=O)N1CCC(O)(c2cc(Cl)cc3cn[nH]c23)CC1(C)C.C=S1(=O)CCC(O)(c2cc(Cl)cc3cn[nH]c23)CC1.O=S(=O)(CC1CC(O)(c2cc(Cl)cc3cn[nH]c23)C1)C1CC1.O=S(=O)(CC1CC(O)(c2cc(Cl)cc3cn[nH]c23)C1)c1ccccc1.OC(c1cc(F)cc2cn[nH]c12)C1CCCCC1.

What is the InChIKey of 3-(benzenesulfonylmethyl)-1-(5-chloro-1H-indazol-7-yl)cyclobutan-1-ol;1-(5-chloro-1H-indazol-7-yl)-3-(cyclopropylsulfonylmethyl)cyclobutan-1-ol;4-(5-chloro-1H-indazol-7-yl)-2,2-dimethyl-1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-ol;4-(5-chloro-1H-indazol-7-yl)-1-methylidene-1-oxothian-4-ol;cyclohexyl-(5-fluoro-1H-indazol-7-yl)methanol?

The InChIKey is HDOUHTZXBICAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3S.C16H22ClN3O2S.C15H17ClN2O3S.C14H17FN2O.C13H15ClN2O2S/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;1-15(2)10-16(21,5-6-20(15)23(3,4)22)13-8-12(17)7-11-9-18-19-14(11)13;16-11-3-10-7-17-18-14(10)13(4-11)15(19)5-9(6-15)8-22(20,21)12-1-2-12;15-11-6-10-8-16-17-13(10)12(7-11)14(18)9-4-2-1-3-5-9;1-19(18)4-2-13(17,3-5-19)11-7-10(14)6-9-8-15-16-12(9)11/h1-7,10,12,22H,8-9,11H2,(H,20,21);7-9,21H,3,5-6,10H2,1-2,4H3,(H,18,19);3-4,7,9,12,19H,1-2,5-6,8H2,(H,17,18);6-9,14,18H,1-5H2,(H,16,17);6-8,17H,1-5H2,(H,15,16).

What are the key properties of 3-(benzenesulfonylmethyl)-1-(5-chloro-1H-indazol-7-yl)cyclobutan-1-ol;1-(5-chloro-1H-indazol-7-yl)-3-(cyclopropylsulfonylmethyl)cyclobutan-1-ol;4-(5-chloro-1H-indazol-7-yl)-2,2-dimethyl-1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-ol;4-(5-chloro-1H-indazol-7-yl)-1-methylidene-1-oxothian-4-ol;cyclohexyl-(5-fluoro-1H-indazol-7-yl)methanol?

3-(benzenesulfonylmethyl)-1-(5-chloro-1H-indazol-7-yl)cyclobutan-1-ol;1-(5-chloro-1H-indazol-7-yl)-3-(cyclopropylsulfonylmethyl)cyclobutan-1-ol;4-(5-chloro-1H-indazol-7-yl)-2,2-dimethyl-1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-ol;4-(5-chloro-1H-indazol-7-yl)-1-methylidene-1-oxothian-4-ol;cyclohexyl-(5-fluoro-1H-indazol-7-yl)methanol has a molecular weight of 1620.68 g/mol, XLogP of 13.45, 13 rotatable bonds, 10 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(benzenesulfonylmethyl)-1-(5-chloro-1H-indazol-7-yl)cyclobutan-1-ol;1-(5-chloro-1H-indazol-7-yl)-3-(cyclopropylsulfonylmethyl)cyclobutan-1-ol;4-(5-chloro-1H-indazol-7-yl)-2,2-dimethyl-1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-ol;4-(5-chloro-1H-indazol-7-yl)-1-methylidene-1-oxothian-4-ol;cyclohexyl-(5-fluoro-1H-indazol-7-yl)methanol is sourced from PubChem (CID 158447615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).