(7-hydroxy-5,8-dimethylnaphthalen-2-yl) sulfamate

C12H13NO4S — CID 91041294

IUPAC(7-hydroxy-5,8-dimethylnaphthalen-2-yl) sulfamate
SMILESCc1cc(O)c(C)c2cc(OS(N)(=O)=O)ccc12
InChIInChI=1S/C12H13NO4S/c1-7-5-12(14)8(2)11-6-9(3-4-10(7)11)17-18(13,15)16/h3-6,14H,1-2H3,(H2,13,15,16)
InChIKeyFGBTYEJJJZORDJ-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.74
Rot. Bonds2

About (7-hydroxy-5,8-dimethylnaphthalen-2-yl) sulfamate

(7-hydroxy-5,8-dimethylnaphthalen-2-yl) sulfamate (PubChem CID 91041294) has the molecular formula C12H13NO4S and a molecular weight of 267.31 g/mol. Its IUPAC name is (7-hydroxy-5,8-dimethylnaphthalen-2-yl) sulfamate.

Molecular Properties

Compound Name(7-hydroxy-5,8-dimethylnaphthalen-2-yl) sulfamate
PubChem CID91041294
Molecular FormulaC12H13NO4S
Molecular Weight267.31 g/mol
Exact Mass267.06
IUPAC Name(7-hydroxy-5,8-dimethylnaphthalen-2-yl) sulfamate
SMILESCc1cc(O)c(C)c2cc(OS(N)(=O)=O)ccc12
InChIInChI=1S/C12H13NO4S/c1-7-5-12(14)8(2)11-6-9(3-4-10(7)11)17-18(13,15)16/h3-6,14H,1-2H3,(H2,13,15,16)
InChIKeyFGBTYEJJJZORDJ-UHFFFAOYSA-N
XLogP1.74
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7-hydroxy-5,8-dimethylnaphthalen-2-yl) sulfamate?
The IUPAC name of (7-hydroxy-5,8-dimethylnaphthalen-2-yl) sulfamate (CID 91041294) is (7-hydroxy-5,8-dimethylnaphthalen-2-yl) sulfamate.
What is the SMILES notation for (7-hydroxy-5,8-dimethylnaphthalen-2-yl) sulfamate?
The canonical SMILES for (7-hydroxy-5,8-dimethylnaphthalen-2-yl) sulfamate is Cc1cc(O)c(C)c2cc(OS(N)(=O)=O)ccc12.
What is the InChIKey of (7-hydroxy-5,8-dimethylnaphthalen-2-yl) sulfamate?
The InChIKey is FGBTYEJJJZORDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4S/c1-7-5-12(14)8(2)11-6-9(3-4-10(7)11)17-18(13,15)16/h3-6,14H,1-2H3,(H2,13,15,16).
What are the key properties of (7-hydroxy-5,8-dimethylnaphthalen-2-yl) sulfamate?
(7-hydroxy-5,8-dimethylnaphthalen-2-yl) sulfamate has a molecular weight of 267.31 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-hydroxy-5,8-dimethylnaphthalen-2-yl) sulfamate is sourced from PubChem (CID 91041294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).