2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(4-sulfamoylphenyl)acetamide

C16H15ClN2O5S — CID 35053547

IUPAC2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)cc1
InChIInChI=1S/C16H15ClN2O5S/c17-13-7-10(8-14-16(13)24-6-5-23-14)9-15(20)19-11-1-3-12(4-2-11)25(18,21)22/h1-4,7-8H,5-6,9H2,(H,19,20)(H2,18,21,22)
InChIKeyNHXRIVWDJDHBSV-UHFFFAOYSA-N
MW382.83 g/mol
LogP1.94
Rot. Bonds4

About 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(4-sulfamoylphenyl)acetamide

2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(4-sulfamoylphenyl)acetamide (PubChem CID 35053547) has the molecular formula C16H15ClN2O5S and a molecular weight of 382.83 g/mol. Its IUPAC name is 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(4-sulfamoylphenyl)acetamide
PubChem CID35053547
Molecular FormulaC16H15ClN2O5S
Molecular Weight382.83 g/mol
Exact Mass382.04
IUPAC Name2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)cc1
InChIInChI=1S/C16H15ClN2O5S/c17-13-7-10(8-14-16(13)24-6-5-23-14)9-15(20)19-11-1-3-12(4-2-11)25(18,21)22/h1-4,7-8H,5-6,9H2,(H,19,20)(H2,18,21,22)
InChIKeyNHXRIVWDJDHBSV-UHFFFAOYSA-N
XLogP1.94
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.83
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[4-(sulfamoylmethyl)phenyl]acetamide
CID 55550911
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(4-methylphenyl)acetamide
CID 51276762
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 16574663
2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 42921750
N-tert-butyl-4-[[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetyl]amino]benzamide
CID 55549416
2-[4-[[2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetyl]amino]phenyl]-N,N-dimethylacetamide
CID 55798255
N-[4-[[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetyl]amino]phenyl]-3-(2,5-dioxoimidazolidin-1-yl)propanamide
CID 55964678
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
CID 41489839
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methylsulfonylphenyl)acetamide
CID 18076854
4-[3-[[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetyl]-ethylamino]propanoylamino]benzamide
CID 31412301
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]acetamide
CID 18280392
2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 27018713

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(4-sulfamoylphenyl)acetamide (CID 35053547) is 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(4-sulfamoylphenyl)acetamide is NS(=O)(=O)c1ccc(NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)cc1.
What is the InChIKey of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is NHXRIVWDJDHBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O5S/c17-13-7-10(8-14-16(13)24-6-5-23-14)9-15(20)19-11-1-3-12(4-2-11)25(18,21)22/h1-4,7-8H,5-6,9H2,(H,19,20)(H2,18,21,22).
What are the key properties of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(4-sulfamoylphenyl)acetamide?
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 382.83 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 35053547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).