1-(4-methoxyphenyl)prop-1-ene-2-sulfonyl chloride

C10H11ClO3S — CID 74860286

IUPAC1-(4-methoxyphenyl)prop-1-ene-2-sulfonyl chloride
SMILESCOc1ccc(C=C(C)S(=O)(=O)Cl)cc1
InChIInChI=1S/C10H11ClO3S/c1-8(15(11,12)13)7-9-3-5-10(14-2)6-4-9/h3-7H,1-2H3
InChIKeyVJDDIMQVDOARJB-UHFFFAOYSA-N
MW246.72 g/mol
LogP2.62
Rot. Bonds3

About 1-(4-methoxyphenyl)prop-1-ene-2-sulfonyl chloride

1-(4-methoxyphenyl)prop-1-ene-2-sulfonyl chloride (PubChem CID 74860286) has the molecular formula C10H11ClO3S and a molecular weight of 246.72 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)prop-1-ene-2-sulfonyl chloride.

Molecular Properties

Compound Name1-(4-methoxyphenyl)prop-1-ene-2-sulfonyl chloride
PubChem CID74860286
Molecular FormulaC10H11ClO3S
Molecular Weight246.72 g/mol
Exact Mass246.01
IUPAC Name1-(4-methoxyphenyl)prop-1-ene-2-sulfonyl chloride
SMILESCOc1ccc(C=C(C)S(=O)(=O)Cl)cc1
InChIInChI=1S/C10H11ClO3S/c1-8(15(11,12)13)7-9-3-5-10(14-2)6-4-9/h3-7H,1-2H3
InChIKeyVJDDIMQVDOARJB-UHFFFAOYSA-N
XLogP2.62
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.72
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-3-(4-methoxyphenyl)-2-methylprop-2-ene-1-sulfonic acid
CID 90282148
1-[(E)-2-fluoroprop-1-enyl]-4-methoxybenzene
CID 125475931
1-(3-chloro-2-methylprop-1-enyl)-4-methoxybenzene
CID 70503857
(2E,3E)-2,3-bis[(4-methoxyphenyl)methylidene]butanedial
CID 12694230
1-(2,2-dibromoethenyl)-4-methoxybenzene
CID 10859278
(E)-2-hydroxy-3-(4-methoxyphenyl)prop-2-enoic acid
CID 11019723
(4-methoxyphenyl)-oxomethanesulfonyl chloride
CID 21104949
(E)-4-(4-methoxyphenyl)-3-methyl-2-oxobut-3-enoic acid
CID 57435525
5-fluoro-1-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]sulfonyl-3,6-dihydro-2H-pyridine
CID 166272033
CID 177396976
CID 177396976
1-(3-bromo-2-methylprop-1-enyl)-4-methoxybenzene
CID 79323342
(Z)-2-fluoro-3-(4-methoxyphenyl)prop-2-enal
CID 10965119

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)prop-1-ene-2-sulfonyl chloride?
The IUPAC name of 1-(4-methoxyphenyl)prop-1-ene-2-sulfonyl chloride (CID 74860286) is 1-(4-methoxyphenyl)prop-1-ene-2-sulfonyl chloride.
What is the SMILES notation for 1-(4-methoxyphenyl)prop-1-ene-2-sulfonyl chloride?
The canonical SMILES for 1-(4-methoxyphenyl)prop-1-ene-2-sulfonyl chloride is COc1ccc(C=C(C)S(=O)(=O)Cl)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)prop-1-ene-2-sulfonyl chloride?
The InChIKey is VJDDIMQVDOARJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3S/c1-8(15(11,12)13)7-9-3-5-10(14-2)6-4-9/h3-7H,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)prop-1-ene-2-sulfonyl chloride?
1-(4-methoxyphenyl)prop-1-ene-2-sulfonyl chloride has a molecular weight of 246.72 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)prop-1-ene-2-sulfonyl chloride is sourced from PubChem (CID 74860286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).