2-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)ethenesulfonamide

C14H13NO4S2 — CID 1484602

IUPAC2-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)ethenesulfonamide
SMILESO=S(=O)(C=Cc1ccc2c(c1)OCO2)NCc1cccs1
InChIInChI=1S/C14H13NO4S2/c16-21(17,15-9-12-2-1-6-20-12)7-5-11-3-4-13-14(8-11)19-10-18-13/h1-8,15H,9-10H2
InChIKeySKCOYEGVUIOGGQ-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.57
Rot. Bonds5

About 2-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)ethenesulfonamide

2-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)ethenesulfonamide (PubChem CID 1484602) has the molecular formula C14H13NO4S2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)ethenesulfonamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)ethenesulfonamide
PubChem CID1484602
Molecular FormulaC14H13NO4S2
Molecular Weight323.40 g/mol
Exact Mass323.03
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)ethenesulfonamide
SMILESO=S(=O)(C=Cc1ccc2c(c1)OCO2)NCc1cccs1
InChIInChI=1S/C14H13NO4S2/c16-21(17,15-9-12-2-1-6-20-12)7-5-11-3-4-13-14(8-11)19-10-18-13/h1-8,15H,9-10H2
InChIKeySKCOYEGVUIOGGQ-UHFFFAOYSA-N
XLogP2.57
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-2-(1,3-benzodioxol-5-yl)-N-[(4-methylphenyl)methyl]ethenesulfonamide
CID 1484581
N-(1,3-benzodioxol-5-ylmethyl)-2-pyridin-4-ylethenesulfonamide
CID 1484640
N-(1,3-benzodioxol-5-ylmethyl)-2-thiophen-2-ylethanamine
CID 39361390
(Z)-N-(1,3-benzodioxol-5-yl)-2-phenylethenesulfonamide
CID 24867440
1-(1,3-benzodioxol-5-yl)-3-(thiophen-2-ylmethyl)urea
CID 970506
[(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate
CID 8944338
[(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate
CID 8944327
(E)-3-(1,3-benzodioxol-5-yl)-N-pyrazolidin-3-yl-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 122412836
(Z)-4-(1,3-benzodioxol-5-yl)but-3-en-2-one
CID 5385558
N-(thiophen-2-ylmethyl)-3-[3-(thiophen-2-ylmethylsulfamoyl)phenyl]sulfonylbenzenesulfonamide
CID 3453501
(E)-3-(1,3-benzodioxol-5-yl)prop-2-enal
CID 5374493
N-(1,3-benzodioxol-5-ylmethyl)-5-thiophen-2-ylpentanamide
CID 110297708

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)ethenesulfonamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)ethenesulfonamide (CID 1484602) is 2-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)ethenesulfonamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)ethenesulfonamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)ethenesulfonamide is O=S(=O)(C=Cc1ccc2c(c1)OCO2)NCc1cccs1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)ethenesulfonamide?
The InChIKey is SKCOYEGVUIOGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4S2/c16-21(17,15-9-12-2-1-6-20-12)7-5-11-3-4-13-14(8-11)19-10-18-13/h1-8,15H,9-10H2.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)ethenesulfonamide?
2-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)ethenesulfonamide has a molecular weight of 323.40 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)ethenesulfonamide is sourced from PubChem (CID 1484602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).