Name: Name:N-(4-fluoro-3-nitrophenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
Brand: Angene
SKU: AG019NKY
Rating: 90 (10 reviews)

N-(4-fluoro-3-nitrophenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

CAS No.:

790681-73-1

Catalog Number:

AG019NKY

Molecular Formula:

C15H13FN2O6S

Molecular Weight:

368.3369

Catalog Number:

AG019NKY

Chemical Name:

N-(4-fluoro-3-nitrophenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

CAS Number:

790681-73-1

Molecular Formula:

C15H13FN2O6S

Molecular Weight:

368.3369

MDL Number:

MFCD06358662

IUPAC Name:

N-(4-fluoro-3-nitrophenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

InChI:

InChI=1S/C15H13FN2O6S/c16-12-4-2-10(8-13(12)18(19)20)17-25(21,22)11-3-5-14-15(9-11)24-7-1-6-23-14/h2-5,8-9,17H,1,6-7H2

InChI Key:

XWJGBHHMPXGZMH-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1cc(ccc1F)NS(=O)(=O)c1ccc2c(c1)OCCCO2

Complexity:

578

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

368.048g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

368.335g/mol

Monoisotopic Mass:

368.048g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

119A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4