N-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-4-fluorophenyl]acetamide

C17H17FN2O5S — CID 55558783

IUPACN-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-4-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1
InChIInChI=1S/C17H17FN2O5S/c1-11(21)19-12-3-5-14(18)15(9-12)20-26(22,23)13-4-6-16-17(10-13)25-8-2-7-24-16/h3-6,9-10,20H,2,7-8H2,1H3,(H,19,21)
InChIKeyWGMGFIYKRHZXHH-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.75
Rot. Bonds4

About N-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-4-fluorophenyl]acetamide

N-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-4-fluorophenyl]acetamide (PubChem CID 55558783) has the molecular formula C17H17FN2O5S and a molecular weight of 380.40 g/mol. Its IUPAC name is N-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-4-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-4-fluorophenyl]acetamide
PubChem CID55558783
Molecular FormulaC17H17FN2O5S
Molecular Weight380.40 g/mol
Exact Mass380.08
IUPAC NameN-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-4-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1
InChIInChI=1S/C17H17FN2O5S/c1-11(21)19-12-3-5-14(18)15(9-12)20-26(22,23)13-4-6-16-17(10-13)25-8-2-7-24-16/h3-6,9-10,20H,2,7-8H2,1H3,(H,19,21)
InChIKeyWGMGFIYKRHZXHH-UHFFFAOYSA-N
XLogP2.75
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-2-fluorophenyl]acetamide
CID 46535085
N-[4-fluoro-3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 134040597
N-(2,5-difluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 8500598
N-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-4-methylphenyl]propanamide
CID 55895903
5-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoyl]amino]-2-fluorobenzamide
CID 55618964
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzamide
CID 42153471
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 24636529
N-[4-fluoro-3-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]acetamide
CID 134040610
N-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 22773509
3-amino-N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]propanamide
CID 119270065
N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-4-(dimethylamino)benzamide
CID 24571318
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-benzodioxole-5-sulfonamide
CID 110776722

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-4-fluorophenyl]acetamide?
The IUPAC name of N-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-4-fluorophenyl]acetamide (CID 55558783) is N-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-4-fluorophenyl]acetamide.
What is the SMILES notation for N-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-4-fluorophenyl]acetamide?
The canonical SMILES for N-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-4-fluorophenyl]acetamide is CC(=O)Nc1ccc(F)c(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1.
What is the InChIKey of N-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-4-fluorophenyl]acetamide?
The InChIKey is WGMGFIYKRHZXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O5S/c1-11(21)19-12-3-5-14(18)15(9-12)20-26(22,23)13-4-6-16-17(10-13)25-8-2-7-24-16/h3-6,9-10,20H,2,7-8H2,1H3,(H,19,21).
What are the key properties of N-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-4-fluorophenyl]acetamide?
N-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-4-fluorophenyl]acetamide has a molecular weight of 380.40 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-4-fluorophenyl]acetamide is sourced from PubChem (CID 55558783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).