6-[(3,4-difluorophenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid

C15H11F2NO6S — CID 17456779

IUPAC6-[(3,4-difluorophenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid
SMILESO=C(O)c1cc2c(cc1NS(=O)(=O)c1ccc(F)c(F)c1)OCCO2
InChIInChI=1S/C15H11F2NO6S/c16-10-2-1-8(5-11(10)17)25(21,22)18-12-7-14-13(23-3-4-24-14)6-9(12)15(19)20/h1-2,5-7,18H,3-4H2,(H,19,20)
InChIKeyYJGBYRNSEZHKOM-UHFFFAOYSA-N
MW371.32 g/mol
LogP2.23
Rot. Bonds4

About 6-[(3,4-difluorophenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid

6-[(3,4-difluorophenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid (PubChem CID 17456779) has the molecular formula C15H11F2NO6S and a molecular weight of 371.32 g/mol. Its IUPAC name is 6-[(3,4-difluorophenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid.

Molecular Properties

Compound Name6-[(3,4-difluorophenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid
PubChem CID17456779
Molecular FormulaC15H11F2NO6S
Molecular Weight371.32 g/mol
Exact Mass371.03
IUPAC Name6-[(3,4-difluorophenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid
SMILESO=C(O)c1cc2c(cc1NS(=O)(=O)c1ccc(F)c(F)c1)OCCO2
InChIInChI=1S/C15H11F2NO6S/c16-10-2-1-8(5-11(10)17)25(21,22)18-12-7-14-13(23-3-4-24-14)6-9(12)15(19)20/h1-2,5-7,18H,3-4H2,(H,19,20)
InChIKeyYJGBYRNSEZHKOM-UHFFFAOYSA-N
XLogP2.23
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.32
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(3-sulfamoylphenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid
CID 18285616
7-[(3-carboxyphenyl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid
CID 22110289
N-(6-acetyl-1,3-benzodioxol-5-yl)-3-chloro-4-fluorobenzenesulfonamide
CID 5020246
N-(2,5-difluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 8500598
6-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid
CID 24662760
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 24636529
5-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoyl]amino]-2-fluorobenzamide
CID 55618964
4-fluoro-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide
CID 110778052
N-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-4-fluorophenyl]acetamide
CID 55558783
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methylbenzoic acid
CID 4849086
4-methyl-N-[6-[(4-methylphenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-yl]benzenesulfonamide
CID 70139059
4-methyl-N-[7-(5-methylfuran-2-carbonyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzenesulfonamide
CID 7148140

Frequently Asked Questions

What is the IUPAC name of 6-[(3,4-difluorophenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid?
The IUPAC name of 6-[(3,4-difluorophenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid (CID 17456779) is 6-[(3,4-difluorophenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid.
What is the SMILES notation for 6-[(3,4-difluorophenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid?
The canonical SMILES for 6-[(3,4-difluorophenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid is O=C(O)c1cc2c(cc1NS(=O)(=O)c1ccc(F)c(F)c1)OCCO2.
What is the InChIKey of 6-[(3,4-difluorophenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid?
The InChIKey is YJGBYRNSEZHKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO6S/c16-10-2-1-8(5-11(10)17)25(21,22)18-12-7-14-13(23-3-4-24-14)6-9(12)15(19)20/h1-2,5-7,18H,3-4H2,(H,19,20).
What are the key properties of 6-[(3,4-difluorophenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid?
6-[(3,4-difluorophenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid has a molecular weight of 371.32 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,4-difluorophenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid is sourced from PubChem (CID 17456779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).