[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 1H-indazole-6-carboxylate

C18H17N3O5S — CID 55528394

IUPAC[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 1H-indazole-6-carboxylate
SMILESCC(OC(=O)c1ccc2cn[nH]c2c1)C(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C18H17N3O5S/c1-11(17(22)12-5-7-15(8-6-12)21-27(2,24)25)26-18(23)13-3-4-14-10-19-20-16(14)9-13/h3-11,21H,1-2H3,(H,19,20)
InChIKeyGEURWQPORQVTPL-UHFFFAOYSA-N
MW387.42 g/mol
LogP2.36
Rot. Bonds6

About [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 1H-indazole-6-carboxylate

[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 1H-indazole-6-carboxylate (PubChem CID 55528394) has the molecular formula C18H17N3O5S and a molecular weight of 387.42 g/mol. Its IUPAC name is [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 1H-indazole-6-carboxylate.

Molecular Properties

Compound Name[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 1H-indazole-6-carboxylate
PubChem CID55528394
Molecular FormulaC18H17N3O5S
Molecular Weight387.42 g/mol
Exact Mass387.09
IUPAC Name[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 1H-indazole-6-carboxylate
SMILESCC(OC(=O)c1ccc2cn[nH]c2c1)C(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C18H17N3O5S/c1-11(17(22)12-5-7-15(8-6-12)21-27(2,24)25)26-18(23)13-3-4-14-10-19-20-16(14)9-13/h3-11,21H,1-2H3,(H,19,20)
InChIKeyGEURWQPORQVTPL-UHFFFAOYSA-N
XLogP2.36
TPSA118.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 1H-indazole-6-carboxylate?
The IUPAC name of [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 1H-indazole-6-carboxylate (CID 55528394) is [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 1H-indazole-6-carboxylate.
What is the SMILES notation for [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 1H-indazole-6-carboxylate?
The canonical SMILES for [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 1H-indazole-6-carboxylate is CC(OC(=O)c1ccc2cn[nH]c2c1)C(=O)c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 1H-indazole-6-carboxylate?
The InChIKey is GEURWQPORQVTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5S/c1-11(17(22)12-5-7-15(8-6-12)21-27(2,24)25)26-18(23)13-3-4-14-10-19-20-16(14)9-13/h3-11,21H,1-2H3,(H,19,20).
What are the key properties of [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 1H-indazole-6-carboxylate?
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 1H-indazole-6-carboxylate has a molecular weight of 387.42 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 1H-indazole-6-carboxylate is sourced from PubChem (CID 55528394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).