Name: Name:2-chloro-1-{2,5-dimethyl-1-[3-(morpholine-4-sulfonyl)phenyl]-1H-pyrrol-3-yl}ethan-1-one
Brand: Angene
SKU: AG00IA4X
Rating: 90 (10 reviews)

2-chloro-1-{2,5-dimethyl-1-[3-(morpholine-4-sulfonyl)phenyl]-1H-pyrrol-3-yl}ethan-1-one

CAS No.:

568555-78-2

Catalog Number:

AG00IA4X

Molecular Formula:

C18H21ClN2O4S

Molecular Weight:

396.8883

Catalog Number:

AG00IA4X

Chemical Name:

2-chloro-1-{2,5-dimethyl-1-[3-(morpholine-4-sulfonyl)phenyl]-1H-pyrrol-3-yl}ethan-1-one

CAS Number:

568555-78-2

Molecular Formula:

C18H21ClN2O4S

Molecular Weight:

396.8883

MDL Number:

MFCD03982015

IUPAC Name:

2-chloro-1-[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]ethanone

InChI:

InChI=1S/C18H21ClN2O4S/c1-13-10-17(18(22)12-19)14(2)21(13)15-4-3-5-16(11-15)26(23,24)20-6-8-25-9-7-20/h3-5,10-11H,6-9,12H2,1-2H3

InChI Key:

AQGQGXJINFPOMP-UHFFFAOYSA-N

SMILES:

ClCC(=O)c1cc(n(c1C)c1cccc(c1)S(=O)(=O)N1CCOCC1)C

Complexity:

603

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

396.091g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

396.886g/mol

Monoisotopic Mass:

396.091g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

77A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2