4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]benzamide

C22H17FN6O5S — CID 55992119

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]benzamide
SMILESO=C(Nc1cc(-n2cnnn2)ccc1F)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C22H17FN6O5S/c23-18-7-5-16(29-13-24-27-28-29)11-19(18)25-22(30)14-1-3-15(4-2-14)26-35(31,32)17-6-8-20-21(12-17)34-10-9-33-20/h1-8,11-13,26H,9-10H2,(H,25,30)
InChIKeyPSNOMXWLCSUQOG-UHFFFAOYSA-N
MW496.48 g/mol
LogP2.63
Rot. Bonds6

About 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]benzamide

4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]benzamide (PubChem CID 55992119) has the molecular formula C22H17FN6O5S and a molecular weight of 496.48 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]benzamide
PubChem CID55992119
Molecular FormulaC22H17FN6O5S
Molecular Weight496.48 g/mol
Exact Mass496.10
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]benzamide
SMILESO=C(Nc1cc(-n2cnnn2)ccc1F)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C22H17FN6O5S/c23-18-7-5-16(29-13-24-27-28-29)11-19(18)25-22(30)14-1-3-15(4-2-14)26-35(31,32)17-6-8-20-21(12-17)34-10-9-33-20/h1-8,11-13,26H,9-10H2,(H,25,30)
InChIKeyPSNOMXWLCSUQOG-UHFFFAOYSA-N
XLogP2.63
TPSA137.33 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.48
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(1-phenylpyrazol-3-yl)benzamide
CID 55566549
N-[4-[[(4-fluorobenzoyl)amino]carbamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 55346325
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzamide
CID 42153471
5-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoyl]amino]benzene-1,3-dicarboxamide
CID 2113497
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 24636529
N-[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-2-fluorophenyl]acetamide
CID 46535085
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 55964358
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(tetrazol-1-yl)benzamide
CID 862147
N'-[3-(tetrazol-1-yl)phenyl]sulfonyl-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 47784702
N-[4-(dimethylaminocarbamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 9163812
N-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-4-fluorophenyl]acetamide
CID 55558783
4-(diethylaminomethyl)-N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]benzamide
CID 55649769

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]benzamide?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]benzamide (CID 55992119) is 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]benzamide?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]benzamide is O=C(Nc1cc(-n2cnnn2)ccc1F)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]benzamide?
The InChIKey is PSNOMXWLCSUQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN6O5S/c23-18-7-5-16(29-13-24-27-28-29)11-19(18)25-22(30)14-1-3-15(4-2-14)26-35(31,32)17-6-8-20-21(12-17)34-10-9-33-20/h1-8,11-13,26H,9-10H2,(H,25,30).
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]benzamide?
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]benzamide has a molecular weight of 496.48 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 55992119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).