(E)-2-(4-chlorophenyl)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]ethenesulfonamide

C17H16ClNO4S — CID 32940542

IUPAC(E)-2-(4-chlorophenyl)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]ethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccc(Cl)cc1)NC[C@H]1COc2ccccc2O1
InChIInChI=1S/C17H16ClNO4S/c18-14-7-5-13(6-8-14)9-10-24(20,21)19-11-15-12-22-16-3-1-2-4-17(16)23-15/h1-10,15,19H,11-12H2/b10-9+/t15-/m0/s1
InChIKeyJDXBBNJEJCORRP-FEAKQIBJSA-N
MW365.84 g/mol
LogP3.07
Rot. Bonds5

About (E)-2-(4-chlorophenyl)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]ethenesulfonamide

(E)-2-(4-chlorophenyl)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]ethenesulfonamide (PubChem CID 32940542) has the molecular formula C17H16ClNO4S and a molecular weight of 365.84 g/mol. Its IUPAC name is (E)-2-(4-chlorophenyl)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-(4-chlorophenyl)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]ethenesulfonamide
PubChem CID32940542
Molecular FormulaC17H16ClNO4S
Molecular Weight365.84 g/mol
Exact Mass365.05
IUPAC Name(E)-2-(4-chlorophenyl)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]ethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccc(Cl)cc1)NC[C@H]1COc2ccccc2O1
InChIInChI=1S/C17H16ClNO4S/c18-14-7-5-13(6-8-14)9-10-24(20,21)19-11-15-12-22-16-3-1-2-4-17(16)23-15/h1-10,15,19H,11-12H2/b10-9+/t15-/m0/s1
InChIKeyJDXBBNJEJCORRP-FEAKQIBJSA-N
XLogP3.07
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.84
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (E)-2-(4-chlorophenyl)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]ethenesulfonamide with MolForge

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Related Compounds

3-chloro-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)propane-1-sulfonamide
CID 61250075
[2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate
CID 7434280
ethane;(3S)-3-[(sulfamoylamino)methyl]-2,3-dihydro-1,4-benzodioxine
CID 91396275
1-(4-chlorophenyl)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]methanimine
CID 744964
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 99645862
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 6931804
2-(4-chloro-N-methylsulfonylanilino)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]acetamide
CID 125075099
2-chloro-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-fluorobenzenesulfonamide
CID 134040418
(E)-N-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrazol-4-yl]-2-phenylethenesulfonamide
CID 90622817
(E)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylprop-2-enamide
CID 5337464
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]acetamide
CID 125074018
[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methanesulfonyl chloride
CID 98488242

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-chlorophenyl)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]ethenesulfonamide?
The IUPAC name of (E)-2-(4-chlorophenyl)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]ethenesulfonamide (CID 32940542) is (E)-2-(4-chlorophenyl)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]ethenesulfonamide.
What is the SMILES notation for (E)-2-(4-chlorophenyl)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]ethenesulfonamide?
The canonical SMILES for (E)-2-(4-chlorophenyl)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]ethenesulfonamide is O=S(=O)(/C=C/c1ccc(Cl)cc1)NC[C@H]1COc2ccccc2O1.
What is the InChIKey of (E)-2-(4-chlorophenyl)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]ethenesulfonamide?
The InChIKey is JDXBBNJEJCORRP-FEAKQIBJSA-N. The full InChI is InChI=1S/C17H16ClNO4S/c18-14-7-5-13(6-8-14)9-10-24(20,21)19-11-15-12-22-16-3-1-2-4-17(16)23-15/h1-10,15,19H,11-12H2/b10-9+/t15-/m0/s1.
What are the key properties of (E)-2-(4-chlorophenyl)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]ethenesulfonamide?
(E)-2-(4-chlorophenyl)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]ethenesulfonamide has a molecular weight of 365.84 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-chlorophenyl)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]ethenesulfonamide is sourced from PubChem (CID 32940542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).