4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-N-prop-2-enylbenzamide

C18H18N2O5S — CID 109058526

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C18H18N2O5S/c1-2-9-19-18(21)13-3-6-15(7-4-13)26(22,23)20-14-5-8-16-17(12-14)25-11-10-24-16/h2-8,12,20H,1,9-11H2,(H,19,21)
InChIKeyKBDSCHLOTUIGDJ-UHFFFAOYSA-N
MW374.42 g/mol
LogP2.17
Rot. Bonds6

About 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-N-prop-2-enylbenzamide

4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-N-prop-2-enylbenzamide (PubChem CID 109058526) has the molecular formula C18H18N2O5S and a molecular weight of 374.42 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-N-prop-2-enylbenzamide
PubChem CID109058526
Molecular FormulaC18H18N2O5S
Molecular Weight374.42 g/mol
Exact Mass374.09
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C18H18N2O5S/c1-2-9-19-18(21)13-3-6-15(7-4-13)26(22,23)20-14-5-8-16-17(12-14)25-11-10-24-16/h2-8,12,20H,1,9-11H2,(H,19,21)
InChIKeyKBDSCHLOTUIGDJ-UHFFFAOYSA-N
XLogP2.17
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[(3,4-dichlorophenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 109058531
4-[(3,4-difluorophenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 109058545
4-[(4-chlorophenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 94622380
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-prop-2-ynylbenzamide
CID 39737085
1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-3-prop-2-enylthiourea
CID 8603795
N-(1,3-benzodioxol-5-yl)-4-(prop-2-enylsulfamoyl)benzamide
CID 19258065
N-(cyclopropylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzamide
CID 46531385
4-(1,3-benzodioxol-5-ylsulfamoyl)-N-butylbenzamide
CID 109058656
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methyl-2-sulfanylpropanoyl)benzenesulfonamide
CID 11610879
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzamide
CID 42153471
4-[(4-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 9419122
ethyl 4-[[4-(prop-2-enylcarbamoyl)phenyl]sulfonylamino]benzoate
CID 109058528

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-N-prop-2-enylbenzamide?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-N-prop-2-enylbenzamide (CID 109058526) is 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-N-prop-2-enylbenzamide?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-N-prop-2-enylbenzamide?
The InChIKey is KBDSCHLOTUIGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5S/c1-2-9-19-18(21)13-3-6-15(7-4-13)26(22,23)20-14-5-8-16-17(12-14)25-11-10-24-16/h2-8,12,20H,1,9-11H2,(H,19,21).
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-N-prop-2-enylbenzamide?
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-N-prop-2-enylbenzamide has a molecular weight of 374.42 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-N-prop-2-enylbenzamide is sourced from PubChem (CID 109058526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).