2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

C16H15BrN2O5S — CID 1006496

IUPAC2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESO=C(CNS(=O)(=O)c1ccc(Br)cc1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C16H15BrN2O5S/c17-11-1-4-13(5-2-11)25(21,22)18-10-16(20)19-12-3-6-14-15(9-12)24-8-7-23-14/h1-6,9,18H,7-8,10H2,(H,19,20)
InChIKeyYCGHIMBTGXLPDQ-UHFFFAOYSA-N
MW427.28 g/mol
LogP2.14
Rot. Bonds5

About 2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (PubChem CID 1006496) has the molecular formula C16H15BrN2O5S and a molecular weight of 427.28 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
PubChem CID1006496
Molecular FormulaC16H15BrN2O5S
Molecular Weight427.28 g/mol
Exact Mass425.99
IUPAC Name2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESO=C(CNS(=O)(=O)c1ccc(Br)cc1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C16H15BrN2O5S/c17-11-1-4-13(5-2-11)25(21,22)18-10-16(20)19-12-3-6-14-15(9-12)24-8-7-23-14/h1-6,9,18H,7-8,10H2,(H,19,20)
InChIKeyYCGHIMBTGXLPDQ-UHFFFAOYSA-N
XLogP2.14
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.28
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (CID 1006496) is 2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is O=C(CNS(=O)(=O)c1ccc(Br)cc1)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The InChIKey is YCGHIMBTGXLPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O5S/c17-11-1-4-13(5-2-11)25(21,22)18-10-16(20)19-12-3-6-14-15(9-12)24-8-7-23-14/h1-6,9,18H,7-8,10H2,(H,19,20).
What are the key properties of 2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide has a molecular weight of 427.28 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is sourced from PubChem (CID 1006496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).