2-[5-(sulfonylamino)naphthalen-2-yl]ethanol

C12H11NO3S — CID 174644890

IUPAC2-[5-(sulfonylamino)naphthalen-2-yl]ethanol
SMILESO=S(=O)=Nc1cccc2cc(CCO)ccc12
InChIInChI=1S/C12H11NO3S/c14-7-6-9-4-5-11-10(8-9)2-1-3-12(11)13-17(15)16/h1-5,8,14H,6-7H2
InChIKeyVOPJHTURARAEKO-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.07
Rot. Bonds3

About 2-[5-(sulfonylamino)naphthalen-2-yl]ethanol

2-[5-(sulfonylamino)naphthalen-2-yl]ethanol (PubChem CID 174644890) has the molecular formula C12H11NO3S and a molecular weight of 249.29 g/mol. Its IUPAC name is 2-[5-(sulfonylamino)naphthalen-2-yl]ethanol.

Molecular Properties

Compound Name2-[5-(sulfonylamino)naphthalen-2-yl]ethanol
PubChem CID174644890
Molecular FormulaC12H11NO3S
Molecular Weight249.29 g/mol
Exact Mass249.05
IUPAC Name2-[5-(sulfonylamino)naphthalen-2-yl]ethanol
SMILESO=S(=O)=Nc1cccc2cc(CCO)ccc12
InChIInChI=1S/C12H11NO3S/c14-7-6-9-4-5-11-10(8-9)2-1-3-12(11)13-17(15)16/h1-5,8,14H,6-7H2
InChIKeyVOPJHTURARAEKO-UHFFFAOYSA-N
XLogP2.07
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(sulfonylamino)naphthalen-2-yl]ethanol?
The IUPAC name of 2-[5-(sulfonylamino)naphthalen-2-yl]ethanol (CID 174644890) is 2-[5-(sulfonylamino)naphthalen-2-yl]ethanol.
What is the SMILES notation for 2-[5-(sulfonylamino)naphthalen-2-yl]ethanol?
The canonical SMILES for 2-[5-(sulfonylamino)naphthalen-2-yl]ethanol is O=S(=O)=Nc1cccc2cc(CCO)ccc12.
What is the InChIKey of 2-[5-(sulfonylamino)naphthalen-2-yl]ethanol?
The InChIKey is VOPJHTURARAEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3S/c14-7-6-9-4-5-11-10(8-9)2-1-3-12(11)13-17(15)16/h1-5,8,14H,6-7H2.
What are the key properties of 2-[5-(sulfonylamino)naphthalen-2-yl]ethanol?
2-[5-(sulfonylamino)naphthalen-2-yl]ethanol has a molecular weight of 249.29 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(sulfonylamino)naphthalen-2-yl]ethanol is sourced from PubChem (CID 174644890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).