N-[4-(6-chloro-1H-indazol-4-yl)phenyl]methanesulfonamide;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethoxy)-1H-indazole

C27H27ClF3N7O5S2 — CID 159719281

IUPACN-[4-(6-chloro-1H-indazol-4-yl)phenyl]methanesulfonamide;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethoxy)-1H-indazole
SMILESCS(=O)(=O)N1CCN(c2cc(OC(F)(F)F)cc3[nH]ncc23)CC1.CS(=O)(=O)Nc1ccc(-c2cc(Cl)cc3[nH]ncc23)cc1
InChIInChI=1S/C14H12ClN3O2S.C13H15F3N4O3S/c1-21(19,20)18-11-4-2-9(3-5-11)12-6-10(15)7-14-13(12)8-16-17-14;1-24(21,22)20-4-2-19(3-5-20)12-7-9(23-13(14,15)16)6-11-10(12)8-17-18-11/h2-8,18H,1H3,(H,16,17);6-8H,2-5H2,1H3,(H,17,18)
InChIKeyMZVCCXXHZDMDJV-UHFFFAOYSA-N
MW686.14 g/mol
LogP4.80
Rot. Bonds6

About N-[4-(6-chloro-1H-indazol-4-yl)phenyl]methanesulfonamide;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethoxy)-1H-indazole

N-[4-(6-chloro-1H-indazol-4-yl)phenyl]methanesulfonamide;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethoxy)-1H-indazole (PubChem CID 159719281) has the molecular formula C27H27ClF3N7O5S2 and a molecular weight of 686.14 g/mol. Its IUPAC name is N-[4-(6-chloro-1H-indazol-4-yl)phenyl]methanesulfonamide;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethoxy)-1H-indazole.

Molecular Properties

Compound NameN-[4-(6-chloro-1H-indazol-4-yl)phenyl]methanesulfonamide;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethoxy)-1H-indazole
PubChem CID159719281
Molecular FormulaC27H27ClF3N7O5S2
Molecular Weight686.14 g/mol
Exact Mass685.12
IUPAC NameN-[4-(6-chloro-1H-indazol-4-yl)phenyl]methanesulfonamide;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethoxy)-1H-indazole
SMILESCS(=O)(=O)N1CCN(c2cc(OC(F)(F)F)cc3[nH]ncc23)CC1.CS(=O)(=O)Nc1ccc(-c2cc(Cl)cc3[nH]ncc23)cc1
InChIInChI=1S/C14H12ClN3O2S.C13H15F3N4O3S/c1-21(19,20)18-11-4-2-9(3-5-11)12-6-10(15)7-14-13(12)8-16-17-14;1-24(21,22)20-4-2-19(3-5-20)12-7-9(23-13(14,15)16)6-11-10(12)8-17-18-11/h2-8,18H,1H3,(H,16,17);6-8H,2-5H2,1H3,(H,17,18)
InChIKeyMZVCCXXHZDMDJV-UHFFFAOYSA-N
XLogP4.80
TPSA153.38 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500686.14
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

8-(6-chloro-1H-indazol-4-yl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one;N-[4-(6-chloro-1H-indazol-4-yl)phenyl]acetamide;N-[4-(6-chloro-1H-indazol-4-yl)phenyl]-N-methylacetamide;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]propan-1-one;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethoxy)-1H-indazole
CID 157448915
N-[4-(6-chloro-1H-indazol-4-yl)phenyl]methanesulfonamide;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethoxy)-1H-indazole;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethoxy)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-propan-2-yl-1H-indazole;1-[4-(6-propan-2-yl-1H-indazol-4-yl)piperidin-1-yl]ethanone
CID 158412075
N-[4-(6-chloro-1H-indazol-4-yl)phenyl]methanesulfonamide;1-[4-(6-cyclopentyl-1H-indazol-4-yl)piperidin-1-yl]ethanone;6-cyclopentyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethoxy)-1H-indazole;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethoxy)-1H-indazole
CID 160914332
8-(6-chloro-1H-indazol-4-yl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one;N-[4-(6-chloro-1H-indazol-4-yl)phenyl]acetamide;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]-N-methylmethanesulfonamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone
CID 161493103
N-[4-(6-chloro-1H-indazol-4-yl)phenyl]methanesulfonamide;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethoxy)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-propan-2-yl-1H-indazole;1-[4-(6-propan-2-yl-1H-indazol-4-yl)piperidin-1-yl]ethanone
CID 161666768
8-(6-chloro-1H-indazol-4-yl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone
CID 162177669

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-chloro-1H-indazol-4-yl)phenyl]methanesulfonamide;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethoxy)-1H-indazole?
The IUPAC name of N-[4-(6-chloro-1H-indazol-4-yl)phenyl]methanesulfonamide;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethoxy)-1H-indazole (CID 159719281) is N-[4-(6-chloro-1H-indazol-4-yl)phenyl]methanesulfonamide;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethoxy)-1H-indazole.
What is the SMILES notation for N-[4-(6-chloro-1H-indazol-4-yl)phenyl]methanesulfonamide;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethoxy)-1H-indazole?
The canonical SMILES for N-[4-(6-chloro-1H-indazol-4-yl)phenyl]methanesulfonamide;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethoxy)-1H-indazole is CS(=O)(=O)N1CCN(c2cc(OC(F)(F)F)cc3[nH]ncc23)CC1.CS(=O)(=O)Nc1ccc(-c2cc(Cl)cc3[nH]ncc23)cc1.
What is the InChIKey of N-[4-(6-chloro-1H-indazol-4-yl)phenyl]methanesulfonamide;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethoxy)-1H-indazole?
The InChIKey is MZVCCXXHZDMDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2S.C13H15F3N4O3S/c1-21(19,20)18-11-4-2-9(3-5-11)12-6-10(15)7-14-13(12)8-16-17-14;1-24(21,22)20-4-2-19(3-5-20)12-7-9(23-13(14,15)16)6-11-10(12)8-17-18-11/h2-8,18H,1H3,(H,16,17);6-8H,2-5H2,1H3,(H,17,18).
What are the key properties of N-[4-(6-chloro-1H-indazol-4-yl)phenyl]methanesulfonamide;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethoxy)-1H-indazole?
N-[4-(6-chloro-1H-indazol-4-yl)phenyl]methanesulfonamide;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethoxy)-1H-indazole has a molecular weight of 686.14 g/mol, XLogP of 4.80, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-chloro-1H-indazol-4-yl)phenyl]methanesulfonamide;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethoxy)-1H-indazole is sourced from PubChem (CID 159719281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).