N-[4-(1,3-benzodioxol-5-ylsulfamoyl)phenyl]acetamide

C15H14N2O5S — CID 2910276

IUPACN-[4-(1,3-benzodioxol-5-ylsulfamoyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C15H14N2O5S/c1-10(18)16-11-2-5-13(6-3-11)23(19,20)17-12-4-7-14-15(8-12)22-9-21-14/h2-8,17H,9H2,1H3,(H,16,18)
InChIKeyXISVLIQZABDNTH-UHFFFAOYSA-N
MW334.35 g/mol
LogP2.17
Rot. Bonds4

About N-[4-(1,3-benzodioxol-5-ylsulfamoyl)phenyl]acetamide

N-[4-(1,3-benzodioxol-5-ylsulfamoyl)phenyl]acetamide (PubChem CID 2910276) has the molecular formula C15H14N2O5S and a molecular weight of 334.35 g/mol. Its IUPAC name is N-[4-(1,3-benzodioxol-5-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(1,3-benzodioxol-5-ylsulfamoyl)phenyl]acetamide
PubChem CID2910276
Molecular FormulaC15H14N2O5S
Molecular Weight334.35 g/mol
Exact Mass334.06
IUPAC NameN-[4-(1,3-benzodioxol-5-ylsulfamoyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C15H14N2O5S/c1-10(18)16-11-2-5-13(6-3-11)23(19,20)17-12-4-7-14-15(8-12)22-9-21-14/h2-8,17H,9H2,1H3,(H,16,18)
InChIKeyXISVLIQZABDNTH-UHFFFAOYSA-N
XLogP2.17
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_C(5)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzodioxol-5-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of N-[4-(1,3-benzodioxol-5-ylsulfamoyl)phenyl]acetamide (CID 2910276) is N-[4-(1,3-benzodioxol-5-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(1,3-benzodioxol-5-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for N-[4-(1,3-benzodioxol-5-ylsulfamoyl)phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1.
What is the InChIKey of N-[4-(1,3-benzodioxol-5-ylsulfamoyl)phenyl]acetamide?
The InChIKey is XISVLIQZABDNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5S/c1-10(18)16-11-2-5-13(6-3-11)23(19,20)17-12-4-7-14-15(8-12)22-9-21-14/h2-8,17H,9H2,1H3,(H,16,18).
What are the key properties of N-[4-(1,3-benzodioxol-5-ylsulfamoyl)phenyl]acetamide?
N-[4-(1,3-benzodioxol-5-ylsulfamoyl)phenyl]acetamide has a molecular weight of 334.35 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzodioxol-5-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 2910276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).