[(E)-2-phenylethenyl]sulfonylurea

C9H10N2O3S — CID 22750927

IUPAC[(E)-2-phenylethenyl]sulfonylurea
SMILESNC(=O)NS(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C9H10N2O3S/c10-9(12)11-15(13,14)7-6-8-4-2-1-3-5-8/h1-7H,(H3,10,11,12)/b7-6+
InChIKeyDGHIJQRWXSDFSY-VOTSOKGWSA-N
MW226.26 g/mol
LogP0.66
Rot. Bonds3

About [(E)-2-phenylethenyl]sulfonylurea

[(E)-2-phenylethenyl]sulfonylurea (PubChem CID 22750927) has the molecular formula C9H10N2O3S and a molecular weight of 226.26 g/mol. Its IUPAC name is [(E)-2-phenylethenyl]sulfonylurea.

Molecular Properties

Compound Name[(E)-2-phenylethenyl]sulfonylurea
PubChem CID22750927
Molecular FormulaC9H10N2O3S
Molecular Weight226.26 g/mol
Exact Mass226.04
IUPAC Name[(E)-2-phenylethenyl]sulfonylurea
SMILESNC(=O)NS(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C9H10N2O3S/c10-9(12)11-15(13,14)7-6-8-4-2-1-3-5-8/h1-7H,(H3,10,11,12)/b7-6+
InChIKeyDGHIJQRWXSDFSY-VOTSOKGWSA-N
XLogP0.66
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[(E)-2-phenylethenyl]sulfonylcarbamate
CID 139258056
methyl 2-(2-phenylethenylsulfonylcarbamoylamino)propanoate
CID 54315961
2,2-dimethyl-3-oxo-3-[[(E)-2-phenylethenyl]sulfonylamino]propanoic acid
CID 68504147
(E)-N-methyl-2-phenylethenesulfonamide
CID 2427246
5-chloro-N-[(E)-2-phenylethenyl]sulfonylthiophene-2-carboxamide
CID 47233266
1-ethyl-3-[(E)-2-phenylethenyl]sulfonylthiourea
CID 121224456
2-(2-phenylethenylsulfonylamino)acetate
CID 4137274
5-amino-5-oxo-2-[[(E)-2-phenylethenyl]sulfonylamino]pentanoic acid
CID 43237908
(E)-N-(2-aminoethyl)-2-phenylethenesulfonamide
CID 43603519
N-(2-phenylethenylsulfonyl)-1H-indole-2-carboxamide
CID 141014773
1-[[(E)-2-phenylethenyl]sulfonylcarbamoyl]piperidine-4-carboxylic acid
CID 22750857
2-(2-phenylethenylsulfonyl)prop-2-enoic acid
CID 151592955

Frequently Asked Questions

What is the IUPAC name of [(E)-2-phenylethenyl]sulfonylurea?
The IUPAC name of [(E)-2-phenylethenyl]sulfonylurea (CID 22750927) is [(E)-2-phenylethenyl]sulfonylurea.
What is the SMILES notation for [(E)-2-phenylethenyl]sulfonylurea?
The canonical SMILES for [(E)-2-phenylethenyl]sulfonylurea is NC(=O)NS(=O)(=O)/C=C/c1ccccc1.
What is the InChIKey of [(E)-2-phenylethenyl]sulfonylurea?
The InChIKey is DGHIJQRWXSDFSY-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H10N2O3S/c10-9(12)11-15(13,14)7-6-8-4-2-1-3-5-8/h1-7H,(H3,10,11,12)/b7-6+.
What are the key properties of [(E)-2-phenylethenyl]sulfonylurea?
[(E)-2-phenylethenyl]sulfonylurea has a molecular weight of 226.26 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-phenylethenyl]sulfonylurea is sourced from PubChem (CID 22750927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).