3-[5-cyclohexyloxy-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]benzenesulfonamide

C23H25N5O3S — CID 54675542

IUPAC3-[5-cyclohexyloxy-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]benzenesulfonamide
SMILESCn1cc(-c2cc3[nH]nc(-c4cccc(S(N)(=O)=O)c4)c3cc2OC2CCCCC2)cn1
InChIInChI=1S/C23H25N5O3S/c1-28-14-16(13-25-28)19-11-21-20(12-22(19)31-17-7-3-2-4-8-17)23(27-26-21)15-6-5-9-18(10-15)32(24,29)30/h5-6,9-14,17H,2-4,7-8H2,1H3,(H,26,27)(H2,24,29,30)
InChIKeyGMIIXDTZSKOUIW-UHFFFAOYSA-N
MW451.55 g/mol
LogP3.99
Rot. Bonds5

About 3-[5-cyclohexyloxy-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]benzenesulfonamide

3-[5-cyclohexyloxy-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]benzenesulfonamide (PubChem CID 54675542) has the molecular formula C23H25N5O3S and a molecular weight of 451.55 g/mol. Its IUPAC name is 3-[5-cyclohexyloxy-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-[5-cyclohexyloxy-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]benzenesulfonamide
PubChem CID54675542
Molecular FormulaC23H25N5O3S
Molecular Weight451.55 g/mol
Exact Mass451.17
IUPAC Name3-[5-cyclohexyloxy-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]benzenesulfonamide
SMILESCn1cc(-c2cc3[nH]nc(-c4cccc(S(N)(=O)=O)c4)c3cc2OC2CCCCC2)cn1
InChIInChI=1S/C23H25N5O3S/c1-28-14-16(13-25-28)19-11-21-20(12-22(19)31-17-7-3-2-4-8-17)23(27-26-21)15-6-5-9-18(10-15)32(24,29)30/h5-6,9-14,17H,2-4,7-8H2,1H3,(H,26,27)(H2,24,29,30)
InChIKeyGMIIXDTZSKOUIW-UHFFFAOYSA-N
XLogP3.99
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[5-Ethoxy-6-(1-Methyl-1h-Pyrazol-4-Yl)-1h-Indazol-3-Yl]-2-Methylbenzenesulfonamide
CID 71576779
3-[5-ethoxy-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]benzenesulfonamide
CID 54675574
3-(5-ethoxy-6-phenyl-1H-indazol-3-yl)benzenesulfonamide
CID 71682298
3-[5-ethoxy-6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]benzenesulfonamide
CID 71682299
3-[5-ethoxy-6-[1-(2-methylpropyl)pyrazol-4-yl]-1H-indazol-3-yl]benzenesulfonamide
CID 71682300
CID 134807319
CID 134807319
N-(3,4-difluorophenyl)sulfonyl-3-[2-(2-indazol-1-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 23017021
N-[(2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-1-methylindole-5-sulfonamide
CID 24999289
N-[(2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-4-pyrazol-1-ylbenzenesulfonamide
CID 24999901
4-fluoro-N-[[5-fluoro-2-[1-(2-methylpropyl)indazol-5-yl]oxyphenyl]methyl]benzenesulfonamide
CID 57639706
3-Fluoro-4-[[1-methyl-6-(1H-pyrazol-4-yl)-1H-indazol-5-yl]oxy]benzenamine
CID 66767051
4-[[6-(2,5-dimethylpyrazol-3-yl)-1H-indazol-5-yl]oxy]-3-fluoroaniline
CID 66767156

Frequently Asked Questions

What is the IUPAC name of 3-[5-cyclohexyloxy-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]benzenesulfonamide?
The IUPAC name of 3-[5-cyclohexyloxy-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]benzenesulfonamide (CID 54675542) is 3-[5-cyclohexyloxy-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 3-[5-cyclohexyloxy-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]benzenesulfonamide?
The canonical SMILES for 3-[5-cyclohexyloxy-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]benzenesulfonamide is Cn1cc(-c2cc3[nH]nc(-c4cccc(S(N)(=O)=O)c4)c3cc2OC2CCCCC2)cn1.
What is the InChIKey of 3-[5-cyclohexyloxy-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]benzenesulfonamide?
The InChIKey is GMIIXDTZSKOUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3S/c1-28-14-16(13-25-28)19-11-21-20(12-22(19)31-17-7-3-2-4-8-17)23(27-26-21)15-6-5-9-18(10-15)32(24,29)30/h5-6,9-14,17H,2-4,7-8H2,1H3,(H,26,27)(H2,24,29,30).
What are the key properties of 3-[5-cyclohexyloxy-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]benzenesulfonamide?
3-[5-cyclohexyloxy-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]benzenesulfonamide has a molecular weight of 451.55 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-cyclohexyloxy-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 54675542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).