methyl N-[(E)-2-phenylethenyl]sulfonylcarbamate

C10H11NO4S — CID 139258056

IUPACmethyl N-[(E)-2-phenylethenyl]sulfonylcarbamate
SMILESCOC(=O)NS(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C10H11NO4S/c1-15-10(12)11-16(13,14)8-7-9-5-3-2-4-6-9/h2-8H,1H3,(H,11,12)/b8-7+
InChIKeyFFXIHOKTLZZHPK-BQYQJAHWSA-N
MW241.27 g/mol
LogP1.34
Rot. Bonds3

About methyl N-[(E)-2-phenylethenyl]sulfonylcarbamate

methyl N-[(E)-2-phenylethenyl]sulfonylcarbamate (PubChem CID 139258056) has the molecular formula C10H11NO4S and a molecular weight of 241.27 g/mol. Its IUPAC name is methyl N-[(E)-2-phenylethenyl]sulfonylcarbamate.

Molecular Properties

Compound Namemethyl N-[(E)-2-phenylethenyl]sulfonylcarbamate
PubChem CID139258056
Molecular FormulaC10H11NO4S
Molecular Weight241.27 g/mol
Exact Mass241.04
IUPAC Namemethyl N-[(E)-2-phenylethenyl]sulfonylcarbamate
SMILESCOC(=O)NS(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C10H11NO4S/c1-15-10(12)11-16(13,14)8-7-9-5-3-2-4-6-9/h2-8H,1H3,(H,11,12)/b8-7+
InChIKeyFFXIHOKTLZZHPK-BQYQJAHWSA-N
XLogP1.34
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(E)-2-phenylethenyl]sulfonylurea
CID 22750927
methyl 2-(2-phenylethenylsulfonylcarbamoylamino)propanoate
CID 54315961
2,2-dimethyl-3-oxo-3-[[(E)-2-phenylethenyl]sulfonylamino]propanoic acid
CID 68504147
4-bromo-3,5-dimethoxy-N-[(E)-2-phenylethenyl]sulfonylbenzamide
CID 75403969
(E)-N-methyl-2-phenylethenesulfonamide
CID 2427246
N-(2-phenylethenylsulfonyl)-2-phenylmethoxypropanamide
CID 103598013
1-ethyl-3-[(E)-2-phenylethenyl]sulfonylthiourea
CID 121224456
(E)-N-ethyl-2-phenylethenesulfonamide
CID 43212835
(E)-2-phenyl-N-propan-2-ylethenesulfonamide
CID 23548846
methyl 3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]pentanoate
CID 42912941
(E)-N-(4-methoxyphenyl)-2-phenylethenesulfonamide
CID 767425
methyl N-(benzenesulfonyl)carbamate
CID 676519

Frequently Asked Questions

What is the IUPAC name of methyl N-[(E)-2-phenylethenyl]sulfonylcarbamate?
The IUPAC name of methyl N-[(E)-2-phenylethenyl]sulfonylcarbamate (CID 139258056) is methyl N-[(E)-2-phenylethenyl]sulfonylcarbamate.
What is the SMILES notation for methyl N-[(E)-2-phenylethenyl]sulfonylcarbamate?
The canonical SMILES for methyl N-[(E)-2-phenylethenyl]sulfonylcarbamate is COC(=O)NS(=O)(=O)/C=C/c1ccccc1.
What is the InChIKey of methyl N-[(E)-2-phenylethenyl]sulfonylcarbamate?
The InChIKey is FFXIHOKTLZZHPK-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H11NO4S/c1-15-10(12)11-16(13,14)8-7-9-5-3-2-4-6-9/h2-8H,1H3,(H,11,12)/b8-7+.
What are the key properties of methyl N-[(E)-2-phenylethenyl]sulfonylcarbamate?
methyl N-[(E)-2-phenylethenyl]sulfonylcarbamate has a molecular weight of 241.27 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(E)-2-phenylethenyl]sulfonylcarbamate is sourced from PubChem (CID 139258056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).