2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-N-methylacetamide

C11H13ClN2O3S — CID 9302302

IUPAC2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-N-methylacetamide
SMILESCNC(=O)CNS(=O)(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClN2O3S/c1-13-11(15)8-14-18(16,17)7-6-9-2-4-10(12)5-3-9/h2-7,14H,8H2,1H3,(H,13,15)/b7-6+
InChIKeyKHGUQRNMPBJWDF-VOTSOKGWSA-N
MW288.76 g/mol
LogP0.98
Rot. Bonds5

About 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-N-methylacetamide

2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-N-methylacetamide (PubChem CID 9302302) has the molecular formula C11H13ClN2O3S and a molecular weight of 288.76 g/mol. Its IUPAC name is 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-N-methylacetamide
PubChem CID9302302
Molecular FormulaC11H13ClN2O3S
Molecular Weight288.76 g/mol
Exact Mass288.03
IUPAC Name2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-N-methylacetamide
SMILESCNC(=O)CNS(=O)(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClN2O3S/c1-13-11(15)8-14-18(16,17)7-6-9-2-4-10(12)5-3-9/h2-7,14H,8H2,1H3,(H,13,15)/b7-6+
InChIKeyKHGUQRNMPBJWDF-VOTSOKGWSA-N
XLogP0.98
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.76
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]acetate
CID 54921365
3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]propanoic acid
CID 43237715
(2S)-3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-2-hydroxypropanoic acid
CID 104935897
(E)-2-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]ethenesulfonamide
CID 8716803
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-[2-(4-methylphenyl)ethenylsulfonylamino]acetate
CID 71954285
N'-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylacetohydrazide
CID 8500743
2-(4-chlorophenyl)-N-[2-(propan-2-ylamino)ethyl]ethenesulfonamide
CID 76948208
2-(4-chlorophenyl)-N-[2-(2-methoxyethoxy)ethyl]ethenesulfonamide
CID 103597906
methyl 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylcarbamoylamino]acetate
CID 22750871
2-[[2-[[(E)-2-phenylethenyl]sulfonylamino]acetyl]amino]acetic acid
CID 6235486
2-[4-[2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]ethyl]phenyl]acetic acid
CID 12945837
3-[4-[2-[2-(4-chlorophenyl)ethenylsulfonylamino]ethyl]phenyl]prop-2-enoic acid
CID 54514129

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-N-methylacetamide?
The IUPAC name of 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-N-methylacetamide (CID 9302302) is 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-N-methylacetamide?
The canonical SMILES for 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-N-methylacetamide is CNC(=O)CNS(=O)(=O)/C=C/c1ccc(Cl)cc1.
What is the InChIKey of 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-N-methylacetamide?
The InChIKey is KHGUQRNMPBJWDF-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H13ClN2O3S/c1-13-11(15)8-14-18(16,17)7-6-9-2-4-10(12)5-3-9/h2-7,14H,8H2,1H3,(H,13,15)/b7-6+.
What are the key properties of 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-N-methylacetamide?
2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-N-methylacetamide has a molecular weight of 288.76 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-N-methylacetamide is sourced from PubChem (CID 9302302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).