N-(1,3-benzodioxol-5-yl)-4-(prop-2-enylsulfamoyl)benzamide

C17H16N2O5S — CID 19258065

IUPACN-(1,3-benzodioxol-5-yl)-4-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C17H16N2O5S/c1-2-9-18-25(21,22)14-6-3-12(4-7-14)17(20)19-13-5-8-15-16(10-13)24-11-23-15/h2-8,10,18H,1,9,11H2,(H,19,20)
InChIKeyQRLZBBVWBVMCIK-UHFFFAOYSA-N
MW360.39 g/mol
LogP2.13
Rot. Bonds6

About N-(1,3-benzodioxol-5-yl)-4-(prop-2-enylsulfamoyl)benzamide

N-(1,3-benzodioxol-5-yl)-4-(prop-2-enylsulfamoyl)benzamide (PubChem CID 19258065) has the molecular formula C17H16N2O5S and a molecular weight of 360.39 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-(prop-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-(prop-2-enylsulfamoyl)benzamide
PubChem CID19258065
Molecular FormulaC17H16N2O5S
Molecular Weight360.39 g/mol
Exact Mass360.08
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C17H16N2O5S/c1-2-9-18-25(21,22)14-6-3-12(4-7-14)17(20)19-13-5-8-15-16(10-13)24-11-23-15/h2-8,10,18H,1,9,11H2,(H,19,20)
InChIKeyQRLZBBVWBVMCIK-UHFFFAOYSA-N
XLogP2.13
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 52.13
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

N-(1,3-benzodioxol-5-yl)-4-(methylsulfamoyl)benzamide
CID 27648630
N-(1,3-benzodioxol-5-yl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 1077889
N,N-dimethyl-4-[[4-(prop-2-enylsulfamoyl)benzoyl]amino]benzamide
CID 34545917
N-(1,3-benzodioxol-5-yl)-4-[[(2R)-butan-2-yl]sulfamoyl]benzamide
CID 9313872
N-[4-(butylsulfamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 2186552
N-(4-anilinophenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 18278951
N-(1,3-benzodioxol-5-yl)-4-(diethylsulfamoyl)benzamide
CID 2582581
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-N-prop-2-enylbenzamide
CID 109058526
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 46420748
N-(4-methoxyphenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 19258037
N-(4-piperidin-1-ylphenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 17473471
N-[4-(cyclohexylsulfamoyl)phenyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 19258102

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4-(prop-2-enylsulfamoyl)benzamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-(prop-2-enylsulfamoyl)benzamide (CID 19258065) is N-(1,3-benzodioxol-5-yl)-4-(prop-2-enylsulfamoyl)benzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-(prop-2-enylsulfamoyl)benzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-(prop-2-enylsulfamoyl)benzamide is C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-(prop-2-enylsulfamoyl)benzamide?
The InChIKey is QRLZBBVWBVMCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5S/c1-2-9-18-25(21,22)14-6-3-12(4-7-14)17(20)19-13-5-8-15-16(10-13)24-11-23-15/h2-8,10,18H,1,9,11H2,(H,19,20).
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-(prop-2-enylsulfamoyl)benzamide?
N-(1,3-benzodioxol-5-yl)-4-(prop-2-enylsulfamoyl)benzamide has a molecular weight of 360.39 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-4-(prop-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 19258065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).