methyl N-(5-ethylsulfonyl-2-hydroxyphenyl)carbamate

C10H13NO5S — CID 71211128

IUPACmethyl N-(5-ethylsulfonyl-2-hydroxyphenyl)carbamate
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)OC)c1
InChIInChI=1S/C10H13NO5S/c1-3-17(14,15)7-4-5-9(12)8(6-7)11-10(13)16-2/h4-6,12H,3H2,1-2H3,(H,11,13)
InChIKeyUDQSASQTCSDPAN-UHFFFAOYSA-N
MW259.28 g/mol
LogP1.36
Rot. Bonds3

About methyl N-(5-ethylsulfonyl-2-hydroxyphenyl)carbamate

methyl N-(5-ethylsulfonyl-2-hydroxyphenyl)carbamate (PubChem CID 71211128) has the molecular formula C10H13NO5S and a molecular weight of 259.28 g/mol. Its IUPAC name is methyl N-(5-ethylsulfonyl-2-hydroxyphenyl)carbamate.

Molecular Properties

Compound Namemethyl N-(5-ethylsulfonyl-2-hydroxyphenyl)carbamate
PubChem CID71211128
Molecular FormulaC10H13NO5S
Molecular Weight259.28 g/mol
Exact Mass259.05
IUPAC Namemethyl N-(5-ethylsulfonyl-2-hydroxyphenyl)carbamate
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)OC)c1
InChIInChI=1S/C10H13NO5S/c1-3-17(14,15)7-4-5-9(12)8(6-7)11-10(13)16-2/h4-6,12H,3H2,1-2H3,(H,11,13)
InChIKeyUDQSASQTCSDPAN-UHFFFAOYSA-N
XLogP1.36
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N-(5-ethylsulfonyl-2-hydroxyphenyl)carbamate?
The IUPAC name of methyl N-(5-ethylsulfonyl-2-hydroxyphenyl)carbamate (CID 71211128) is methyl N-(5-ethylsulfonyl-2-hydroxyphenyl)carbamate.
What is the SMILES notation for methyl N-(5-ethylsulfonyl-2-hydroxyphenyl)carbamate?
The canonical SMILES for methyl N-(5-ethylsulfonyl-2-hydroxyphenyl)carbamate is CCS(=O)(=O)c1ccc(O)c(NC(=O)OC)c1.
What is the InChIKey of methyl N-(5-ethylsulfonyl-2-hydroxyphenyl)carbamate?
The InChIKey is UDQSASQTCSDPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5S/c1-3-17(14,15)7-4-5-9(12)8(6-7)11-10(13)16-2/h4-6,12H,3H2,1-2H3,(H,11,13).
What are the key properties of methyl N-(5-ethylsulfonyl-2-hydroxyphenyl)carbamate?
methyl N-(5-ethylsulfonyl-2-hydroxyphenyl)carbamate has a molecular weight of 259.28 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(5-ethylsulfonyl-2-hydroxyphenyl)carbamate is sourced from PubChem (CID 71211128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).