2-(4-methylphenyl)sulfonylethyl carbamate

C10H13NO4S — CID 22061645

IUPAC2-(4-methylphenyl)sulfonylethyl carbamate
SMILESCc1ccc(S(=O)(=O)CCOC(N)=O)cc1
InChIInChI=1S/C10H13NO4S/c1-8-2-4-9(5-3-8)16(13,14)7-6-15-10(11)12/h2-5H,6-7H2,1H3,(H2,11,12)
InChIKeyJTQUNAJHSFYGSN-UHFFFAOYSA-N
MW243.28 g/mol
LogP0.86
Rot. Bonds4

About 2-(4-methylphenyl)sulfonylethyl carbamate

2-(4-methylphenyl)sulfonylethyl carbamate (PubChem CID 22061645) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfonylethyl carbamate.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfonylethyl carbamate
PubChem CID22061645
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Name2-(4-methylphenyl)sulfonylethyl carbamate
SMILESCc1ccc(S(=O)(=O)CCOC(N)=O)cc1
InChIInChI=1S/C10H13NO4S/c1-8-2-4-9(5-3-8)16(13,14)7-6-15-10(11)12/h2-5H,6-7H2,1H3,(H2,11,12)
InChIKeyJTQUNAJHSFYGSN-UHFFFAOYSA-N
XLogP0.86
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfonylethyl carbamate?
The IUPAC name of 2-(4-methylphenyl)sulfonylethyl carbamate (CID 22061645) is 2-(4-methylphenyl)sulfonylethyl carbamate.
What is the SMILES notation for 2-(4-methylphenyl)sulfonylethyl carbamate?
The canonical SMILES for 2-(4-methylphenyl)sulfonylethyl carbamate is Cc1ccc(S(=O)(=O)CCOC(N)=O)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfonylethyl carbamate?
The InChIKey is JTQUNAJHSFYGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-8-2-4-9(5-3-8)16(13,14)7-6-15-10(11)12/h2-5H,6-7H2,1H3,(H2,11,12).
What are the key properties of 2-(4-methylphenyl)sulfonylethyl carbamate?
2-(4-methylphenyl)sulfonylethyl carbamate has a molecular weight of 243.28 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfonylethyl carbamate is sourced from PubChem (CID 22061645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).