N,N-bis(furan-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

C19H19NO6S — CID 32945228

IUPACN,N-bis(furan-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
SMILESO=S(=O)(c1ccc2c(c1)OCCCO2)N(Cc1ccco1)Cc1ccco1
InChIInChI=1S/C19H19NO6S/c21-27(22,17-6-7-18-19(12-17)26-11-3-10-25-18)20(13-15-4-1-8-23-15)14-16-5-2-9-24-16/h1-2,4-9,12H,3,10-11,13-14H2
InChIKeyYBLZUVPLQMAHFA-UHFFFAOYSA-N
MW389.43 g/mol
LogP3.42
Rot. Bonds6

About N,N-bis(furan-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

N,N-bis(furan-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide (PubChem CID 32945228) has the molecular formula C19H19NO6S and a molecular weight of 389.43 g/mol. Its IUPAC name is N,N-bis(furan-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide.

Molecular Properties

Compound NameN,N-bis(furan-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
PubChem CID32945228
Molecular FormulaC19H19NO6S
Molecular Weight389.43 g/mol
Exact Mass389.09
IUPAC NameN,N-bis(furan-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
SMILESO=S(=O)(c1ccc2c(c1)OCCCO2)N(Cc1ccco1)Cc1ccco1
InChIInChI=1S/C19H19NO6S/c21-27(22,17-6-7-18-19(12-17)26-11-3-10-25-18)20(13-15-4-1-8-23-15)14-16-5-2-9-24-16/h1-2,4-9,12H,3,10-11,13-14H2
InChIKeyYBLZUVPLQMAHFA-UHFFFAOYSA-N
XLogP3.42
TPSA82.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-N-[(3-nitrophenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 19260179
N-(furan-2-ylmethyl)-N-[(2R)-2-hydroxy-2-phenylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2477033
N,N-diethyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2866313
2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(furan-2-ylmethyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 4965958
N-(2-aminoethyl)-N-benzyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide;hydrochloride
CID 120584242
N-ethyl-N-(furan-2-ylmethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421940
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)ethyl]-N-(furan-2-ylmethyl)acetamide
CID 113053957
N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 30660804
4-amino-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 61105124
N-[(2-fluorophenyl)methyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 31391555
N-(furan-2-ylmethyl)-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 3696608
N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 31481947

Frequently Asked Questions

What is the IUPAC name of N,N-bis(furan-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide?
The IUPAC name of N,N-bis(furan-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide (CID 32945228) is N,N-bis(furan-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide.
What is the SMILES notation for N,N-bis(furan-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide?
The canonical SMILES for N,N-bis(furan-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide is O=S(=O)(c1ccc2c(c1)OCCCO2)N(Cc1ccco1)Cc1ccco1.
What is the InChIKey of N,N-bis(furan-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide?
The InChIKey is YBLZUVPLQMAHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO6S/c21-27(22,17-6-7-18-19(12-17)26-11-3-10-25-18)20(13-15-4-1-8-23-15)14-16-5-2-9-24-16/h1-2,4-9,12H,3,10-11,13-14H2.
What are the key properties of N,N-bis(furan-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide?
N,N-bis(furan-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide has a molecular weight of 389.43 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(furan-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide is sourced from PubChem (CID 32945228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).