Name: Name:Benzenamine, 3-[(hexahydro-1H-azepin-1-yl)sulfonyl]-
Brand: Angene
SKU: AG006FM1
Rating: 90 (10 reviews)

Benzenamine, 3-[(hexahydro-1H-azepin-1-yl)sulfonyl]-

CAS No.:

91619-39-5

Catalog Number:

AG006FM1

Molecular Formula:

C12H18N2O2S

Molecular Weight:

254.3485

Catalog Number:

AG006FM1

Chemical Name:

Benzenamine, 3-[(hexahydro-1H-azepin-1-yl)sulfonyl]-

CAS Number:

91619-39-5

Molecular Formula:

C12H18N2O2S

Molecular Weight:

254.3485

MDL Number:

MFCD03147234

IUPAC Name:

3-(azepan-1-ylsulfonyl)aniline

InChI:

InChI=1S/C12H18N2O2S/c13-11-6-5-7-12(10-11)17(15,16)14-8-3-1-2-4-9-14/h5-7,10H,1-4,8-9,13H2

InChI Key:

OXDMSVNDLGEMFK-UHFFFAOYSA-N

SMILES:

Nc1cccc(c1)S(=O)(=O)N1CCCCCC1

Complexity:

329

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

254.109g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

254.348g/mol

Monoisotopic Mass:

254.109g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

71.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6