6-chloro-4-(2-fluoro-4-methylsulfonylphenyl)-1H-indazole;4-(6-chloro-1H-indazol-4-yl)-N-methylbenzenesulfonamide;1-(6-chloro-1H-indazol-4-yl)-N-methylpyrrolidine-3-carboxamide;(6-chloro-1H-indazol-4-yl)-(oxan-4-yl)methanol;1-(6-chloro-1H-indazol-4-yl)piperidine-4-carboxylic acid

C67H66Cl5FN14O9S2 — CID 160829451

IUPAC6-chloro-4-(2-fluoro-4-methylsulfonylphenyl)-1H-indazole;4-(6-chloro-1H-indazol-4-yl)-N-methylbenzenesulfonamide;1-(6-chloro-1H-indazol-4-yl)-N-methylpyrrolidine-3-carboxamide;(6-chloro-1H-indazol-4-yl)-(oxan-4-yl)methanol;1-(6-chloro-1H-indazol-4-yl)piperidine-4-carboxylic acid
SMILESCNC(=O)C1CCN(c2cc(Cl)cc3[nH]ncc23)C1.CNS(=O)(=O)c1ccc(-c2cc(Cl)cc3[nH]ncc23)cc1.CS(=O)(=O)c1ccc(-c2cc(Cl)cc3[nH]ncc23)c(F)c1.O=C(O)C1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.OC(c1cc(Cl)cc2[nH]ncc12)C1CCOCC1
InChIInChI=1S/C14H10ClFN2O2S.C14H12ClN3O2S.C13H15ClN4O.C13H14ClN3O2.C13H15ClN2O2/c1-21(19,20)9-2-3-10(13(16)6-9)11-4-8(15)5-14-12(11)7-17-18-14;1-16-21(19,20)11-4-2-9(3-5-11)12-6-10(15)7-14-13(12)8-17-18-14;1-15-13(19)8-2-3-18(7-8)12-5-9(14)4-11-10(12)6-16-17-11;14-9-5-11-10(7-15-16-11)12(6-9)17-3-1-8(2-4-17)13(18)19;14-9-5-10(11-7-15-16-12(11)6-9)13(17)8-1-3-18-4-2-8/h2-7H,1H3,(H,17,18);2-8,16H,1H3,(H,17,18);4-6,8H,2-3,7H2,1H3,(H,15,19)(H,16,17);5-8H,1-4H2,(H,15,16)(H,18,19);5-8,13,17H,1-4H2,(H,15,16)
InChIKeySGPKJOXFEORJPK-UHFFFAOYSA-N
MW1471.75 g/mol
LogP13.20
Rot. Bonds11

About 6-chloro-4-(2-fluoro-4-methylsulfonylphenyl)-1H-indazole;4-(6-chloro-1H-indazol-4-yl)-N-methylbenzenesulfonamide;1-(6-chloro-1H-indazol-4-yl)-N-methylpyrrolidine-3-carboxamide;(6-chloro-1H-indazol-4-yl)-(oxan-4-yl)methanol;1-(6-chloro-1H-indazol-4-yl)piperidine-4-carboxylic acid

6-chloro-4-(2-fluoro-4-methylsulfonylphenyl)-1H-indazole;4-(6-chloro-1H-indazol-4-yl)-N-methylbenzenesulfonamide;1-(6-chloro-1H-indazol-4-yl)-N-methylpyrrolidine-3-carboxamide;(6-chloro-1H-indazol-4-yl)-(oxan-4-yl)methanol;1-(6-chloro-1H-indazol-4-yl)piperidine-4-carboxylic acid (PubChem CID 160829451) has the molecular formula C67H66Cl5FN14O9S2 and a molecular weight of 1471.75 g/mol. Its IUPAC name is 6-chloro-4-(2-fluoro-4-methylsulfonylphenyl)-1H-indazole;4-(6-chloro-1H-indazol-4-yl)-N-methylbenzenesulfonamide;1-(6-chloro-1H-indazol-4-yl)-N-methylpyrrolidine-3-carboxamide;(6-chloro-1H-indazol-4-yl)-(oxan-4-yl)methanol;1-(6-chloro-1H-indazol-4-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name6-chloro-4-(2-fluoro-4-methylsulfonylphenyl)-1H-indazole;4-(6-chloro-1H-indazol-4-yl)-N-methylbenzenesulfonamide;1-(6-chloro-1H-indazol-4-yl)-N-methylpyrrolidine-3-carboxamide;(6-chloro-1H-indazol-4-yl)-(oxan-4-yl)methanol;1-(6-chloro-1H-indazol-4-yl)piperidine-4-carboxylic acid
PubChem CID160829451
Molecular FormulaC67H66Cl5FN14O9S2
Molecular Weight1471.75 g/mol
Exact Mass1468.30
IUPAC Name6-chloro-4-(2-fluoro-4-methylsulfonylphenyl)-1H-indazole;4-(6-chloro-1H-indazol-4-yl)-N-methylbenzenesulfonamide;1-(6-chloro-1H-indazol-4-yl)-N-methylpyrrolidine-3-carboxamide;(6-chloro-1H-indazol-4-yl)-(oxan-4-yl)methanol;1-(6-chloro-1H-indazol-4-yl)piperidine-4-carboxylic acid
SMILESCNC(=O)C1CCN(c2cc(Cl)cc3[nH]ncc23)C1.CNS(=O)(=O)c1ccc(-c2cc(Cl)cc3[nH]ncc23)cc1.CS(=O)(=O)c1ccc(-c2cc(Cl)cc3[nH]ncc23)c(F)c1.O=C(O)C1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.OC(c1cc(Cl)cc2[nH]ncc12)C1CCOCC1
InChIInChI=1S/C14H10ClFN2O2S.C14H12ClN3O2S.C13H15ClN4O.C13H14ClN3O2.C13H15ClN2O2/c1-21(19,20)9-2-3-10(13(16)6-9)11-4-8(15)5-14-12(11)7-17-18-14;1-16-21(19,20)11-4-2-9(3-5-11)12-6-10(15)7-14-13(12)8-17-18-14;1-15-13(19)8-2-3-18(7-8)12-5-9(14)4-11-10(12)6-16-17-11;14-9-5-11-10(7-15-16-11)12(6-9)17-3-1-8(2-4-17)13(18)19;14-9-5-10(11-7-15-16-12(11)6-9)13(17)8-1-3-18-4-2-8/h2-7H,1H3,(H,17,18);2-8,16H,1H3,(H,17,18);4-6,8H,2-3,7H2,1H3,(H,15,19)(H,16,17);5-8H,1-4H2,(H,15,16)(H,18,19);5-8,13,17H,1-4H2,(H,15,16)
InChIKeySGPKJOXFEORJPK-UHFFFAOYSA-N
XLogP13.20
TPSA326.05 Ų
H-Bond Donors9
H-Bond Acceptors15
Rotatable Bonds11
Heavy Atoms98
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001471.75
LogP ≤ 513.20
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1015

Analyze 6-chloro-4-(2-fluoro-4-methylsulfonylphenyl)-1H-indazole;4-(6-chloro-1H-indazol-4-yl)-N-methylbenzenesulfonamide;1-(6-chloro-1H-indazol-4-yl)-N-methylpyrrolidine-3-carboxamide;(6-chloro-1H-indazol-4-yl)-(oxan-4-yl)methanol;1-(6-chloro-1H-indazol-4-yl)piperidine-4-carboxylic acid with MolForge

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Related Compounds

8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-3-one;1-(6-chloro-1H-indazol-4-yl)-2-phenylethanol;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]acetamide;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methyl]-N-methylacetamide;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]-N-methylmethanesulfonamide
CID 157950359
4-(6-chloro-1H-indazol-4-yl)benzenesulfonamide;1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;1-(6-chloro-1H-indazol-4-yl)-3-methylbutan-1-ol;(6-chloro-1H-indazol-4-yl)-phenylmethanol;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;(6-chloro-1H-indazol-4-yl)-piperidin-1-ylmethanone
CID 158357743
6-chloro-4-(1-ethylsulfonylpiperidin-4-yl)-1H-indazole;1-(6-chloro-1H-indazol-4-yl)-4,4-dimethylcyclohexan-1-ol;N-[2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethyl]acetamide;N-[2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethyl]methanesulfonamide;6-chloro-4-(oxan-4-yl)-1H-indazole
CID 158442568
1-(6-chloro-1H-indazol-4-yl)-2-(oxan-4-yl)ethanol;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]-N-methylacetamide;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]-N-methylmethanesulfonamide;6-chloro-4-(1-methoxyethyl)-1H-indazole;6-chloro-4-(2-methoxyethyl)-1H-indazole
CID 159467793
6-chloro-4-(2-fluoro-4-methylsulfonylphenyl)-1H-indazole;1-(6-chloro-1H-indazol-4-yl)-N-methylpyrrolidine-3-carboxamide;(6-chloro-1H-indazol-4-yl)-(oxan-4-yl)methanol
CID 160400854
(6-chloro-1H-indazol-4-yl)-cyclohexylmethanol;1-(6-chloro-1H-indazol-4-yl)-N-methylpyrrolidine-3-carboxamide;1-(6-chloro-1H-indazol-4-yl)piperidine-4-carboxylic acid;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]-N-methylacetamide
CID 161016286
3-(1-acetylpiperidin-4-yl)-1-(6-chloro-1H-indazol-4-yl)propan-1-one;6-chloro-4-(2-fluoro-4-methylsulfonylphenyl)-1H-indazole;1-(6-chloro-1H-indazol-4-yl)-N-methylpyrrolidine-3-carboxamide;(6-chloro-1H-indazol-4-yl)-(oxan-4-yl)methanol;6-chloro-4-(3-methoxy-4-methylsulfonylphenyl)-1H-indazole
CID 161388466
6-chloro-4-(2-fluoro-4-methylsulfonylphenyl)-1H-indazole;4-(6-chloro-1H-indazol-4-yl)-N-methylbenzenesulfonamide;1-(6-chloro-1H-indazol-4-yl)-N-methylpyrrolidine-3-carboxamide;(6-chloro-1H-indazol-4-yl)-(oxan-4-yl)methanol;6-chloro-4-(3-methoxy-4-methylsulfonylphenyl)-1H-indazole
CID 161434439
6-chloro-4-(2-ethyl-4-pyridinyl)-1H-indazole;8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-3-one;4-(6-chloro-1H-indazol-4-yl)-N,N-dimethylbenzenesulfonamide;1-(6-chloro-1H-indazol-4-yl)-2-phenylethanol;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylacetamide
CID 161590222
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
8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-3-one;1-(6-chloro-1H-indazol-4-yl)-2-phenylethanol;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]acetamide;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methyl]-N-methylacetamide
CID 162228582

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(2-fluoro-4-methylsulfonylphenyl)-1H-indazole;4-(6-chloro-1H-indazol-4-yl)-N-methylbenzenesulfonamide;1-(6-chloro-1H-indazol-4-yl)-N-methylpyrrolidine-3-carboxamide;(6-chloro-1H-indazol-4-yl)-(oxan-4-yl)methanol;1-(6-chloro-1H-indazol-4-yl)piperidine-4-carboxylic acid?
The IUPAC name of 6-chloro-4-(2-fluoro-4-methylsulfonylphenyl)-1H-indazole;4-(6-chloro-1H-indazol-4-yl)-N-methylbenzenesulfonamide;1-(6-chloro-1H-indazol-4-yl)-N-methylpyrrolidine-3-carboxamide;(6-chloro-1H-indazol-4-yl)-(oxan-4-yl)methanol;1-(6-chloro-1H-indazol-4-yl)piperidine-4-carboxylic acid (CID 160829451) is 6-chloro-4-(2-fluoro-4-methylsulfonylphenyl)-1H-indazole;4-(6-chloro-1H-indazol-4-yl)-N-methylbenzenesulfonamide;1-(6-chloro-1H-indazol-4-yl)-N-methylpyrrolidine-3-carboxamide;(6-chloro-1H-indazol-4-yl)-(oxan-4-yl)methanol;1-(6-chloro-1H-indazol-4-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 6-chloro-4-(2-fluoro-4-methylsulfonylphenyl)-1H-indazole;4-(6-chloro-1H-indazol-4-yl)-N-methylbenzenesulfonamide;1-(6-chloro-1H-indazol-4-yl)-N-methylpyrrolidine-3-carboxamide;(6-chloro-1H-indazol-4-yl)-(oxan-4-yl)methanol;1-(6-chloro-1H-indazol-4-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 6-chloro-4-(2-fluoro-4-methylsulfonylphenyl)-1H-indazole;4-(6-chloro-1H-indazol-4-yl)-N-methylbenzenesulfonamide;1-(6-chloro-1H-indazol-4-yl)-N-methylpyrrolidine-3-carboxamide;(6-chloro-1H-indazol-4-yl)-(oxan-4-yl)methanol;1-(6-chloro-1H-indazol-4-yl)piperidine-4-carboxylic acid is CNC(=O)C1CCN(c2cc(Cl)cc3[nH]ncc23)C1.CNS(=O)(=O)c1ccc(-c2cc(Cl)cc3[nH]ncc23)cc1.CS(=O)(=O)c1ccc(-c2cc(Cl)cc3[nH]ncc23)c(F)c1.O=C(O)C1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.OC(c1cc(Cl)cc2[nH]ncc12)C1CCOCC1.
What is the InChIKey of 6-chloro-4-(2-fluoro-4-methylsulfonylphenyl)-1H-indazole;4-(6-chloro-1H-indazol-4-yl)-N-methylbenzenesulfonamide;1-(6-chloro-1H-indazol-4-yl)-N-methylpyrrolidine-3-carboxamide;(6-chloro-1H-indazol-4-yl)-(oxan-4-yl)methanol;1-(6-chloro-1H-indazol-4-yl)piperidine-4-carboxylic acid?
The InChIKey is SGPKJOXFEORJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O2S.C14H12ClN3O2S.C13H15ClN4O.C13H14ClN3O2.C13H15ClN2O2/c1-21(19,20)9-2-3-10(13(16)6-9)11-4-8(15)5-14-12(11)7-17-18-14;1-16-21(19,20)11-4-2-9(3-5-11)12-6-10(15)7-14-13(12)8-17-18-14;1-15-13(19)8-2-3-18(7-8)12-5-9(14)4-11-10(12)6-16-17-11;14-9-5-11-10(7-15-16-11)12(6-9)17-3-1-8(2-4-17)13(18)19;14-9-5-10(11-7-15-16-12(11)6-9)13(17)8-1-3-18-4-2-8/h2-7H,1H3,(H,17,18);2-8,16H,1H3,(H,17,18);4-6,8H,2-3,7H2,1H3,(H,15,19)(H,16,17);5-8H,1-4H2,(H,15,16)(H,18,19);5-8,13,17H,1-4H2,(H,15,16).
What are the key properties of 6-chloro-4-(2-fluoro-4-methylsulfonylphenyl)-1H-indazole;4-(6-chloro-1H-indazol-4-yl)-N-methylbenzenesulfonamide;1-(6-chloro-1H-indazol-4-yl)-N-methylpyrrolidine-3-carboxamide;(6-chloro-1H-indazol-4-yl)-(oxan-4-yl)methanol;1-(6-chloro-1H-indazol-4-yl)piperidine-4-carboxylic acid?
6-chloro-4-(2-fluoro-4-methylsulfonylphenyl)-1H-indazole;4-(6-chloro-1H-indazol-4-yl)-N-methylbenzenesulfonamide;1-(6-chloro-1H-indazol-4-yl)-N-methylpyrrolidine-3-carboxamide;(6-chloro-1H-indazol-4-yl)-(oxan-4-yl)methanol;1-(6-chloro-1H-indazol-4-yl)piperidine-4-carboxylic acid has a molecular weight of 1471.75 g/mol, XLogP of 13.20, 11 rotatable bonds, 9 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(2-fluoro-4-methylsulfonylphenyl)-1H-indazole;4-(6-chloro-1H-indazol-4-yl)-N-methylbenzenesulfonamide;1-(6-chloro-1H-indazol-4-yl)-N-methylpyrrolidine-3-carboxamide;(6-chloro-1H-indazol-4-yl)-(oxan-4-yl)methanol;1-(6-chloro-1H-indazol-4-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 160829451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).