N-(1H-benzimidazol-2-yl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzamide

C23H20N4O5S — CID 27649737

IUPACN-(1H-benzimidazol-2-yl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzamide
SMILESO=C(Nc1nc2ccccc2[nH]1)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1
InChIInChI=1S/C23H20N4O5S/c28-22(26-23-24-18-4-1-2-5-19(18)25-23)15-6-8-16(9-7-15)27-33(29,30)17-10-11-20-21(14-17)32-13-3-12-31-20/h1-2,4-11,14,27H,3,12-13H2,(H2,24,25,26,28)
InChIKeyULKFOIRJVXHPKK-UHFFFAOYSA-N
MW464.50 g/mol
LogP3.78
Rot. Bonds5

About N-(1H-benzimidazol-2-yl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzamide

N-(1H-benzimidazol-2-yl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzamide (PubChem CID 27649737) has the molecular formula C23H20N4O5S and a molecular weight of 464.50 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzamide
PubChem CID27649737
Molecular FormulaC23H20N4O5S
Molecular Weight464.50 g/mol
Exact Mass464.12
IUPAC NameN-(1H-benzimidazol-2-yl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzamide
SMILESO=C(Nc1nc2ccccc2[nH]1)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1
InChIInChI=1S/C23H20N4O5S/c28-22(26-23-24-18-4-1-2-5-19(18)25-23)15-6-8-16(9-7-15)27-33(29,30)17-10-11-20-21(14-17)32-13-3-12-31-20/h1-2,4-11,14,27H,3,12-13H2,(H2,24,25,26,28)
InChIKeyULKFOIRJVXHPKK-UHFFFAOYSA-N
XLogP3.78
TPSA122.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.50
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1H-benzimidazol-2-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzamide
CID 24539531
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CID 3547940
N-(1H-benzimidazol-2-yl)-4-[(4-bromophenyl)sulfonylamino]benzamide
CID 35808303
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzamide
CID 42153471
N-(1,3-benzothiazol-2-yl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzamide
CID 35993606
N-(1H-benzimidazol-2-yl)-3-(phenylsulfamoyl)benzamide
CID 155294875
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(phenylsulfamoyl)benzamide
CID 26712382
N-(1H-benzimidazol-2-yl)-3-[(4-bromophenyl)sulfamoyl]benzamide
CID 27649646
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2-ethylphenyl)benzamide
CID 37335411
N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-4-(dimethylamino)benzamide
CID 24571318
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-quinolin-8-ylbenzamide
CID 41491213
N-(1H-benzimidazol-2-yl)-4-(carbamoylamino)benzamide
CID 2477191

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzamide (CID 27649737) is N-(1H-benzimidazol-2-yl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzamide is O=C(Nc1nc2ccccc2[nH]1)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzamide?
The InChIKey is ULKFOIRJVXHPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O5S/c28-22(26-23-24-18-4-1-2-5-19(18)25-23)15-6-8-16(9-7-15)27-33(29,30)17-10-11-20-21(14-17)32-13-3-12-31-20/h1-2,4-11,14,27H,3,12-13H2,(H2,24,25,26,28).
What are the key properties of N-(1H-benzimidazol-2-yl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzamide?
N-(1H-benzimidazol-2-yl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzamide has a molecular weight of 464.50 g/mol, XLogP of 3.78, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzamide is sourced from PubChem (CID 27649737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).