tert-butyl 3-cyclohexyl-6-sulfamoyloxyindazole-1-carboxylate

C18H25N3O5S — CID 141143511

IUPACtert-butyl 3-cyclohexyl-6-sulfamoyloxyindazole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1nc(C2CCCCC2)c2ccc(OS(N)(=O)=O)cc21
InChIInChI=1S/C18H25N3O5S/c1-18(2,3)25-17(22)21-15-11-13(26-27(19,23)24)9-10-14(15)16(20-21)12-7-5-4-6-8-12/h9-12H,4-8H2,1-3H3,(H2,19,23,24)
InChIKeySXAJGAWXNFAFPK-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.45
Rot. Bonds3

About tert-butyl 3-cyclohexyl-6-sulfamoyloxyindazole-1-carboxylate

tert-butyl 3-cyclohexyl-6-sulfamoyloxyindazole-1-carboxylate (PubChem CID 141143511) has the molecular formula C18H25N3O5S and a molecular weight of 395.48 g/mol. Its IUPAC name is tert-butyl 3-cyclohexyl-6-sulfamoyloxyindazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-cyclohexyl-6-sulfamoyloxyindazole-1-carboxylate
PubChem CID141143511
Molecular FormulaC18H25N3O5S
Molecular Weight395.48 g/mol
Exact Mass395.15
IUPAC Nametert-butyl 3-cyclohexyl-6-sulfamoyloxyindazole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1nc(C2CCCCC2)c2ccc(OS(N)(=O)=O)cc21
InChIInChI=1S/C18H25N3O5S/c1-18(2,3)25-17(22)21-15-11-13(26-27(19,23)24)9-10-14(15)16(20-21)12-7-5-4-6-8-12/h9-12H,4-8H2,1-3H3,(H2,19,23,24)
InChIKeySXAJGAWXNFAFPK-UHFFFAOYSA-N
XLogP3.45
TPSA113.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl 6-amino-3-piperidin-4-ylindazole-1-carboxylate
CID 165381985
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CID 155390610
tert-butyl 5-amino-3-cyclopentylpyrazole-1-carboxylate
CID 18423587
tert-butyl 6-(4-fluorophenoxy)-3-methylindazole-1-carboxylate
CID 76852757
tert-butyl 3-amino-6-[tert-butyl(dimethyl)silyl]oxyindazole-1-carboxylate
CID 70982737
tert-butyl 3-(cyclohexanecarbonyl)-6-propanoylindazole-1-carboxylate
CID 12995032
tert-butyl 6-bromo-5-cyclohexyloxy-3-(3-sulfamoylphenyl)indazole-1-carboxylate
CID 71682147
tert-butyl 3-amino-6-methylindazole-1-carboxylate
CID 71659334
tert-butyl 6-amino-3-(piperidin-1-ylmethyl)indazole-1-carboxylate
CID 76846195
tert-butyl 6-(trifluoromethylsulfonyloxy)indazole-1-carboxylate
CID 54533813
tert-butyl 3-(bromomethyl)-6-methoxyindazole-1-carboxylate;tert-butyl 3-formyl-6-methoxyindazole-1-carboxylate
CID 158397860
tert-butyl 6-[tert-butyl(diphenyl)silyl]oxy-3-iodoindazole-1-carboxylate
CID 59373800

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-cyclohexyl-6-sulfamoyloxyindazole-1-carboxylate?
The IUPAC name of tert-butyl 3-cyclohexyl-6-sulfamoyloxyindazole-1-carboxylate (CID 141143511) is tert-butyl 3-cyclohexyl-6-sulfamoyloxyindazole-1-carboxylate.
What is the SMILES notation for tert-butyl 3-cyclohexyl-6-sulfamoyloxyindazole-1-carboxylate?
The canonical SMILES for tert-butyl 3-cyclohexyl-6-sulfamoyloxyindazole-1-carboxylate is CC(C)(C)OC(=O)n1nc(C2CCCCC2)c2ccc(OS(N)(=O)=O)cc21.
What is the InChIKey of tert-butyl 3-cyclohexyl-6-sulfamoyloxyindazole-1-carboxylate?
The InChIKey is SXAJGAWXNFAFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O5S/c1-18(2,3)25-17(22)21-15-11-13(26-27(19,23)24)9-10-14(15)16(20-21)12-7-5-4-6-8-12/h9-12H,4-8H2,1-3H3,(H2,19,23,24).
What are the key properties of tert-butyl 3-cyclohexyl-6-sulfamoyloxyindazole-1-carboxylate?
tert-butyl 3-cyclohexyl-6-sulfamoyloxyindazole-1-carboxylate has a molecular weight of 395.48 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-cyclohexyl-6-sulfamoyloxyindazole-1-carboxylate is sourced from PubChem (CID 141143511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).