Name: Name:1-[4-(benzenesulfonyl)piperazin-1-yl]-4-chlorobutan-1-one
Brand: Angene
SKU: AG00ICD2
Rating: 90 (10 reviews)

1-[4-(benzenesulfonyl)piperazin-1-yl]-4-chlorobutan-1-one

CAS No.:

731011-96-4

Catalog Number:

AG00ICD2

Molecular Formula:

C14H19ClN2O3S

Molecular Weight:

330.8303

Catalog Number:

AG00ICD2

Chemical Name:

1-[4-(benzenesulfonyl)piperazin-1-yl]-4-chlorobutan-1-one

CAS Number:

731011-96-4

Molecular Formula:

C14H19ClN2O3S

Molecular Weight:

330.8303

MDL Number:

MFCD04626509

IUPAC Name:

1-[4-(benzenesulfonyl)piperazin-1-yl]-4-chlorobutan-1-one

InChI:

InChI=1S/C14H19ClN2O3S/c15-8-4-7-14(18)16-9-11-17(12-10-16)21(19,20)13-5-2-1-3-6-13/h1-3,5-6H,4,7-12H2

InChI Key:

DNRMHILXALASRT-UHFFFAOYSA-N

SMILES:

ClCCCC(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1

Complexity:

436

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

330.08g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

330.827g/mol

Monoisotopic Mass:

330.08g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2