Name: Name:methyl 2-chloro-5-(piperidine-1-sulfonyl)benzoate
Brand: Angene
SKU: AG019KVR
Rating: 90 (10 reviews)

methyl 2-chloro-5-(piperidine-1-sulfonyl)benzoate

CAS No.:

415701-81-4

Catalog Number:

AG019KVR

Molecular Formula:

C13H16ClNO4S

Molecular Weight:

317.7884

Catalog Number:

AG019KVR

Chemical Name:

methyl 2-chloro-5-(piperidine-1-sulfonyl)benzoate

CAS Number:

415701-81-4

Molecular Formula:

C13H16ClNO4S

Molecular Weight:

317.7884

MDL Number:

MFCD00813805

IUPAC Name:

methyl 2-chloro-5-piperidin-1-ylsulfonylbenzoate

InChI:

InChI=1S/C13H16ClNO4S/c1-19-13(16)11-9-10(5-6-12(11)14)20(17,18)15-7-3-2-4-8-15/h5-6,9H,2-4,7-8H2,1H3

InChI Key:

LGWXTVSTGSWZKG-UHFFFAOYSA-N

SMILES:

COC(=O)c1cc(ccc1Cl)S(=O)(=O)N1CCCCC1

Complexity:

442

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

317.049g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

317.784g/mol

Monoisotopic Mass:

317.049g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

72.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4