(E)-2-(4-acetamidophenyl)ethenesulfonyl chloride

C10H10ClNO3S — CID 23469627

IUPAC(E)-2-(4-acetamidophenyl)ethenesulfonyl chloride
SMILESCC(=O)Nc1ccc(/C=C/S(=O)(=O)Cl)cc1
InChIInChI=1S/C10H10ClNO3S/c1-8(13)12-10-4-2-9(3-5-10)6-7-16(11,14)15/h2-7H,1H3,(H,12,13)/b7-6+
InChIKeySNHMBZUMRXSPIU-VOTSOKGWSA-N
MW259.71 g/mol
LogP2.18
Rot. Bonds3

About (E)-2-(4-acetamidophenyl)ethenesulfonyl chloride

(E)-2-(4-acetamidophenyl)ethenesulfonyl chloride (PubChem CID 23469627) has the molecular formula C10H10ClNO3S and a molecular weight of 259.71 g/mol. Its IUPAC name is (E)-2-(4-acetamidophenyl)ethenesulfonyl chloride.

Molecular Properties

Compound Name(E)-2-(4-acetamidophenyl)ethenesulfonyl chloride
PubChem CID23469627
Molecular FormulaC10H10ClNO3S
Molecular Weight259.71 g/mol
Exact Mass259.01
IUPAC Name(E)-2-(4-acetamidophenyl)ethenesulfonyl chloride
SMILESCC(=O)Nc1ccc(/C=C/S(=O)(=O)Cl)cc1
InChIInChI=1S/C10H10ClNO3S/c1-8(13)12-10-4-2-9(3-5-10)6-7-16(11,14)15/h2-7H,1H3,(H,12,13)/b7-6+
InChIKeySNHMBZUMRXSPIU-VOTSOKGWSA-N
XLogP2.18
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-chlorobut-1-enyl)phenyl]acetamide
CID 170499596
N-[4-[(1Z,4E)-5-(4-acetamidophenyl)-3-oxopenta-1,4-dienyl]phenyl]acetamide
CID 92840931
N-[4-(chloro-methylidene-oxo-λ6-sulfanyl)phenyl]acetamide
CID 148879032
(E)-3-(4-acetamidophenyl)-N-methylprop-2-enamide
CID 47142125
(E)-2-(4-methylsulfanylphenyl)ethenesulfonyl chloride
CID 55280423
N'-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylacetohydrazide
CID 8500743
2-(3,4-dichlorophenyl)ethenesulfonyl chloride;sulfur trioxide
CID 161252073
N-(4-methoxyphenyl)acetamide;sulfuryl dichloride
CID 88785543
ethyl 4-(4-acetamidophenyl)but-3-enoate
CID 170796600
N-[4-[(E)-3-cyclopropyl-3-oxoprop-1-enyl]phenyl]acetamide
CID 23455779
N-[4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]acetamide
CID 141461725
N-[4-[(1E,3Z)-5-hydroxy-3-methylpenta-1,3-dienyl]phenyl]acetamide
CID 143732890

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-acetamidophenyl)ethenesulfonyl chloride?
The IUPAC name of (E)-2-(4-acetamidophenyl)ethenesulfonyl chloride (CID 23469627) is (E)-2-(4-acetamidophenyl)ethenesulfonyl chloride.
What is the SMILES notation for (E)-2-(4-acetamidophenyl)ethenesulfonyl chloride?
The canonical SMILES for (E)-2-(4-acetamidophenyl)ethenesulfonyl chloride is CC(=O)Nc1ccc(/C=C/S(=O)(=O)Cl)cc1.
What is the InChIKey of (E)-2-(4-acetamidophenyl)ethenesulfonyl chloride?
The InChIKey is SNHMBZUMRXSPIU-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H10ClNO3S/c1-8(13)12-10-4-2-9(3-5-10)6-7-16(11,14)15/h2-7H,1H3,(H,12,13)/b7-6+.
What are the key properties of (E)-2-(4-acetamidophenyl)ethenesulfonyl chloride?
(E)-2-(4-acetamidophenyl)ethenesulfonyl chloride has a molecular weight of 259.71 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-acetamidophenyl)ethenesulfonyl chloride is sourced from PubChem (CID 23469627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).