Name: Name:1H-Pyrrole-2-carboxylic acid, 1-[(4-Methylphenyl)sulfonyl]-4-(1-oxopropyl)-, Methyl ester
Brand: Angene
SKU: AG008TB6
Rating: 90 (10 reviews)

1H-Pyrrole-2-carboxylic acid, 1-[(4-Methylphenyl)sulfonyl]-4-(1-oxopropyl)-, Methyl ester

CAS No.:

1191272-69-1

Catalog Number:

AG008TB6

Molecular Formula:

C16H17NO5S

Molecular Weight:

335.3749

Catalog Number:

AG008TB6

Chemical Name:

1H-Pyrrole-2-carboxylic acid, 1-[(4-Methylphenyl)sulfonyl]-4-(1-oxopropyl)-, Methyl ester

CAS Number:

1191272-69-1

Molecular Formula:

C16H17NO5S

Molecular Weight:

335.3749

MDL Number:

MFCD25977351

IUPAC Name:

methyl 1-(4-methylphenyl)sulfonyl-4-propanoylpyrrole-2-carboxylate

InChI:

InChI=1S/C16H17NO5S/c1-4-15(18)12-9-14(16(19)22-3)17(10-12)23(20,21)13-7-5-11(2)6-8-13/h5-10H,4H2,1-3H3

InChI Key:

SICPTKWSFLGUEH-UHFFFAOYSA-N

SMILES:

COC(=O)c1cc(cn1S(=O)(=O)c1ccc(cc1)C)C(=O)CC

Complexity:

545

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

335.083g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

335.374g/mol

Monoisotopic Mass:

335.083g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

90.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6