4-(6-chloro-1H-indazol-4-yl)benzenesulfonamide;(6-chloro-1H-indazol-4-yl)-phenylmethanol;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decan-2-one;6-chloro-4-(2-methyl-4-methylsulfonylphenyl)-1H-indazole

C72H70Cl5N15O7S2 — CID 162022016

IUPAC4-(6-chloro-1H-indazol-4-yl)benzenesulfonamide;(6-chloro-1H-indazol-4-yl)-phenylmethanol;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decan-2-one;6-chloro-4-(2-methyl-4-methylsulfonylphenyl)-1H-indazole
SMILESCC(=O)CCC1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.Cc1cc(S(C)(=O)=O)ccc1-c1cc(Cl)cc2[nH]ncc12.NS(=O)(=O)c1ccc(-c2cc(Cl)cc3[nH]ncc23)cc1.O=C1NCC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)N1.OC(c1ccccc1)c1cc(Cl)cc2[nH]ncc12
InChIInChI=1S/C16H20ClN3O.C15H13ClN2O2S.C14H16ClN5O.C14H11ClN2O.C13H10ClN3O2S/c1-11(21)2-3-12-4-6-20(7-5-12)16-9-13(17)8-15-14(16)10-18-19-15;1-9-5-11(21(2,19)20)3-4-12(9)13-6-10(16)7-15-14(13)8-17-18-15;15-9-5-11-10(7-17-19-11)12(6-9)20-3-1-14(2-4-20)8-16-13(21)18-14;15-10-6-11(12-8-16-17-13(12)7-10)14(18)9-4-2-1-3-5-9;14-9-5-11(12-7-16-17-13(12)6-9)8-1-3-10(4-2-8)20(15,18)19/h8-10,12H,2-7H2,1H3,(H,18,19);3-8H,1-2H3,(H,17,18);5-7H,1-4,8H2,(H,17,19)(H2,16,18,21);1-8,14,18H,(H,16,17);1-7H,(H,16,17)(H2,15,18,19)
InChIKeyYUWGMTGAGCJGKC-UHFFFAOYSA-N
MW1498.85 g/mol
LogP15.09
Rot. Bonds11

About 4-(6-chloro-1H-indazol-4-yl)benzenesulfonamide;(6-chloro-1H-indazol-4-yl)-phenylmethanol;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decan-2-one;6-chloro-4-(2-methyl-4-methylsulfonylphenyl)-1H-indazole

4-(6-chloro-1H-indazol-4-yl)benzenesulfonamide;(6-chloro-1H-indazol-4-yl)-phenylmethanol;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decan-2-one;6-chloro-4-(2-methyl-4-methylsulfonylphenyl)-1H-indazole (PubChem CID 162022016) has the molecular formula C72H70Cl5N15O7S2 and a molecular weight of 1498.85 g/mol. Its IUPAC name is 4-(6-chloro-1H-indazol-4-yl)benzenesulfonamide;(6-chloro-1H-indazol-4-yl)-phenylmethanol;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decan-2-one;6-chloro-4-(2-methyl-4-methylsulfonylphenyl)-1H-indazole.

Molecular Properties

Compound Name4-(6-chloro-1H-indazol-4-yl)benzenesulfonamide;(6-chloro-1H-indazol-4-yl)-phenylmethanol;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decan-2-one;6-chloro-4-(2-methyl-4-methylsulfonylphenyl)-1H-indazole
PubChem CID162022016
Molecular FormulaC72H70Cl5N15O7S2
Molecular Weight1498.85 g/mol
Exact Mass1495.35
IUPAC Name4-(6-chloro-1H-indazol-4-yl)benzenesulfonamide;(6-chloro-1H-indazol-4-yl)-phenylmethanol;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decan-2-one;6-chloro-4-(2-methyl-4-methylsulfonylphenyl)-1H-indazole
SMILESCC(=O)CCC1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.Cc1cc(S(C)(=O)=O)ccc1-c1cc(Cl)cc2[nH]ncc12.NS(=O)(=O)c1ccc(-c2cc(Cl)cc3[nH]ncc23)cc1.O=C1NCC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)N1.OC(c1ccccc1)c1cc(Cl)cc2[nH]ncc12
InChIInChI=1S/C16H20ClN3O.C15H13ClN2O2S.C14H16ClN5O.C14H11ClN2O.C13H10ClN3O2S/c1-11(21)2-3-12-4-6-20(7-5-12)16-9-13(17)8-15-14(16)10-18-19-15;1-9-5-11(21(2,19)20)3-4-12(9)13-6-10(16)7-15-14(13)8-17-18-15;15-9-5-11-10(7-17-19-11)12(6-9)20-3-1-14(2-4-20)8-16-13(21)18-14;15-10-6-11(12-8-16-17-13(12)7-10)14(18)9-4-2-1-3-5-9;14-9-5-11(12-7-16-17-13(12)6-9)8-1-3-10(4-2-8)20(15,18)19/h8-10,12H,2-7H2,1H3,(H,18,19);3-8H,1-2H3,(H,17,18);5-7H,1-4,8H2,(H,17,19)(H2,16,18,21);1-8,14,18H,(H,16,17);1-7H,(H,16,17)(H2,15,18,19)
InChIKeyYUWGMTGAGCJGKC-UHFFFAOYSA-N
XLogP15.09
TPSA322.61 Ų
H-Bond Donors9
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms101
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001498.85
LogP ≤ 515.09
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1014

Analyze 4-(6-chloro-1H-indazol-4-yl)benzenesulfonamide;(6-chloro-1H-indazol-4-yl)-phenylmethanol;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decan-2-one;6-chloro-4-(2-methyl-4-methylsulfonylphenyl)-1H-indazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-1H-indazol-4-yl)benzenesulfonamide;(6-chloro-1H-indazol-4-yl)-phenylmethanol;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decan-2-one;6-chloro-4-(2-methyl-4-methylsulfonylphenyl)-1H-indazole?
The IUPAC name of 4-(6-chloro-1H-indazol-4-yl)benzenesulfonamide;(6-chloro-1H-indazol-4-yl)-phenylmethanol;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decan-2-one;6-chloro-4-(2-methyl-4-methylsulfonylphenyl)-1H-indazole (CID 162022016) is 4-(6-chloro-1H-indazol-4-yl)benzenesulfonamide;(6-chloro-1H-indazol-4-yl)-phenylmethanol;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decan-2-one;6-chloro-4-(2-methyl-4-methylsulfonylphenyl)-1H-indazole.
What is the SMILES notation for 4-(6-chloro-1H-indazol-4-yl)benzenesulfonamide;(6-chloro-1H-indazol-4-yl)-phenylmethanol;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decan-2-one;6-chloro-4-(2-methyl-4-methylsulfonylphenyl)-1H-indazole?
The canonical SMILES for 4-(6-chloro-1H-indazol-4-yl)benzenesulfonamide;(6-chloro-1H-indazol-4-yl)-phenylmethanol;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decan-2-one;6-chloro-4-(2-methyl-4-methylsulfonylphenyl)-1H-indazole is CC(=O)CCC1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.Cc1cc(S(C)(=O)=O)ccc1-c1cc(Cl)cc2[nH]ncc12.NS(=O)(=O)c1ccc(-c2cc(Cl)cc3[nH]ncc23)cc1.O=C1NCC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)N1.OC(c1ccccc1)c1cc(Cl)cc2[nH]ncc12.
What is the InChIKey of 4-(6-chloro-1H-indazol-4-yl)benzenesulfonamide;(6-chloro-1H-indazol-4-yl)-phenylmethanol;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decan-2-one;6-chloro-4-(2-methyl-4-methylsulfonylphenyl)-1H-indazole?
The InChIKey is YUWGMTGAGCJGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O.C15H13ClN2O2S.C14H16ClN5O.C14H11ClN2O.C13H10ClN3O2S/c1-11(21)2-3-12-4-6-20(7-5-12)16-9-13(17)8-15-14(16)10-18-19-15;1-9-5-11(21(2,19)20)3-4-12(9)13-6-10(16)7-15-14(13)8-17-18-15;15-9-5-11-10(7-17-19-11)12(6-9)20-3-1-14(2-4-20)8-16-13(21)18-14;15-10-6-11(12-8-16-17-13(12)7-10)14(18)9-4-2-1-3-5-9;14-9-5-11(12-7-16-17-13(12)6-9)8-1-3-10(4-2-8)20(15,18)19/h8-10,12H,2-7H2,1H3,(H,18,19);3-8H,1-2H3,(H,17,18);5-7H,1-4,8H2,(H,17,19)(H2,16,18,21);1-8,14,18H,(H,16,17);1-7H,(H,16,17)(H2,15,18,19).
What are the key properties of 4-(6-chloro-1H-indazol-4-yl)benzenesulfonamide;(6-chloro-1H-indazol-4-yl)-phenylmethanol;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decan-2-one;6-chloro-4-(2-methyl-4-methylsulfonylphenyl)-1H-indazole?
4-(6-chloro-1H-indazol-4-yl)benzenesulfonamide;(6-chloro-1H-indazol-4-yl)-phenylmethanol;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decan-2-one;6-chloro-4-(2-methyl-4-methylsulfonylphenyl)-1H-indazole has a molecular weight of 1498.85 g/mol, XLogP of 15.09, 11 rotatable bonds, 9 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-1H-indazol-4-yl)benzenesulfonamide;(6-chloro-1H-indazol-4-yl)-phenylmethanol;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decan-2-one;6-chloro-4-(2-methyl-4-methylsulfonylphenyl)-1H-indazole is sourced from PubChem (CID 162022016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).