[5-[1-(benzenesulfonyl)indazol-3-yl]furan-2-yl]methanol

C18H14N2O4S — CID 57390107

IUPAC[5-[1-(benzenesulfonyl)indazol-3-yl]furan-2-yl]methanol
SMILESO=S(=O)(c1ccccc1)n1nc(-c2ccc(CO)o2)c2ccccc21
InChIInChI=1S/C18H14N2O4S/c21-12-13-10-11-17(24-13)18-15-8-4-5-9-16(15)20(19-18)25(22,23)14-6-2-1-3-7-14/h1-11,21H,12H2
InChIKeyFRBSVLWWRPDTSV-UHFFFAOYSA-N
MW354.39 g/mol
LogP3.03
Rot. Bonds4

About [5-[1-(benzenesulfonyl)indazol-3-yl]furan-2-yl]methanol

[5-[1-(benzenesulfonyl)indazol-3-yl]furan-2-yl]methanol (PubChem CID 57390107) has the molecular formula C18H14N2O4S and a molecular weight of 354.39 g/mol. Its IUPAC name is [5-[1-(benzenesulfonyl)indazol-3-yl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[1-(benzenesulfonyl)indazol-3-yl]furan-2-yl]methanol
PubChem CID57390107
Molecular FormulaC18H14N2O4S
Molecular Weight354.39 g/mol
Exact Mass354.07
IUPAC Name[5-[1-(benzenesulfonyl)indazol-3-yl]furan-2-yl]methanol
SMILESO=S(=O)(c1ccccc1)n1nc(-c2ccc(CO)o2)c2ccccc21
InChIInChI=1S/C18H14N2O4S/c21-12-13-10-11-17(24-13)18-15-8-4-5-9-16(15)20(19-18)25(22,23)14-6-2-1-3-7-14/h1-11,21H,12H2
InChIKeyFRBSVLWWRPDTSV-UHFFFAOYSA-N
XLogP3.03
TPSA85.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-[1-(benzenesulfonyl)indazol-3-yl]furan-2-yl]methanol?
The IUPAC name of [5-[1-(benzenesulfonyl)indazol-3-yl]furan-2-yl]methanol (CID 57390107) is [5-[1-(benzenesulfonyl)indazol-3-yl]furan-2-yl]methanol.
What is the SMILES notation for [5-[1-(benzenesulfonyl)indazol-3-yl]furan-2-yl]methanol?
The canonical SMILES for [5-[1-(benzenesulfonyl)indazol-3-yl]furan-2-yl]methanol is O=S(=O)(c1ccccc1)n1nc(-c2ccc(CO)o2)c2ccccc21.
What is the InChIKey of [5-[1-(benzenesulfonyl)indazol-3-yl]furan-2-yl]methanol?
The InChIKey is FRBSVLWWRPDTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4S/c21-12-13-10-11-17(24-13)18-15-8-4-5-9-16(15)20(19-18)25(22,23)14-6-2-1-3-7-14/h1-11,21H,12H2.
What are the key properties of [5-[1-(benzenesulfonyl)indazol-3-yl]furan-2-yl]methanol?
[5-[1-(benzenesulfonyl)indazol-3-yl]furan-2-yl]methanol has a molecular weight of 354.39 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-(benzenesulfonyl)indazol-3-yl]furan-2-yl]methanol is sourced from PubChem (CID 57390107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).