2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]benzamide

C24H21N5O5S — CID 55677946

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]benzamide
SMILESO=C(NCc1ccc(-n2ccnc2)nc1)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C24H21N5O5S/c30-24(27-15-17-5-8-23(26-14-17)29-10-9-25-16-29)19-3-1-2-4-20(19)28-35(31,32)18-6-7-21-22(13-18)34-12-11-33-21/h1-10,13-14,16,28H,11-12,15H2,(H,27,30)
InChIKeyNKTQDRIMBHAMPO-UHFFFAOYSA-N
MW491.53 g/mol
LogP2.77
Rot. Bonds7

About 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]benzamide

2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]benzamide (PubChem CID 55677946) has the molecular formula C24H21N5O5S and a molecular weight of 491.53 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]benzamide
PubChem CID55677946
Molecular FormulaC24H21N5O5S
Molecular Weight491.53 g/mol
Exact Mass491.13
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]benzamide
SMILESO=C(NCc1ccc(-n2ccnc2)nc1)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C24H21N5O5S/c30-24(27-15-17-5-8-23(26-14-17)29-10-9-25-16-29)19-3-1-2-4-20(19)28-35(31,32)18-6-7-21-22(13-18)34-12-11-33-21/h1-10,13-14,16,28H,11-12,15H2,(H,27,30)
InChIKeyNKTQDRIMBHAMPO-UHFFFAOYSA-N
XLogP2.77
TPSA124.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.53
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 6492763
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 134001794
N-[(2-imidazol-1-ylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 46771026
N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(oxan-4-yloxymethyl)benzamide
CID 136515901
N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 47075495
N-tert-butyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzamide
CID 17200397
N-[(2-imidazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 30380953
N-butan-2-yl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzamide
CID 2948118
N-[2-(pyrrolidine-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1076433
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide
CID 154877409
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide
CID 55854355
4-chloro-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-nitrobenzamide
CID 38772476

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]benzamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]benzamide (CID 55677946) is 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]benzamide is O=C(NCc1ccc(-n2ccnc2)nc1)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]benzamide?
The InChIKey is NKTQDRIMBHAMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O5S/c30-24(27-15-17-5-8-23(26-14-17)29-10-9-25-16-29)19-3-1-2-4-20(19)28-35(31,32)18-6-7-21-22(13-18)34-12-11-33-21/h1-10,13-14,16,28H,11-12,15H2,(H,27,30).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]benzamide?
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]benzamide has a molecular weight of 491.53 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 55677946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).