1-(Benzenesulfonyl)-1H-pyrrole-3-sulfonyl Chloride
Catalog: |
BB073295 |
Product Name: |
1-(Benzenesulfonyl)-1H-pyrrole-3-sulfonyl Chloride |
Synonyms: |
1-(Phenylsulfonyl)-1H-pyrrole-3-sulfonyl chloride; 1H- Pyrrole- 3- sulfonyl chloride, 1- (phenylsulfonyl) -; 1-(Phenylsulfonyl)pyrrole-3-sulfonylchloride |
IUPAC Name: | 1-(benzenesulfonyl)pyrrole-3-sulfonyl chloride |
Description: | 1-(Benzenesulfonyl)-1H-pyrrole-3-sulfonyl Chloride may be useful in the preparation of sulfamoyl pyrrolecarboxylic acids as antibacterial agents. |
Molecular Weight: | 305.76 |
Molecular Formula: | C10H8ClNO4S2 |
Canonical SMILES: | C1=CC=C(C=C1)S(=O)(=O)N2C=CC(=C2)S(=O)(=O)Cl |
InChI: | InChI=1S/C10H8ClNO4S2/c11-17(13,14)10-6-7-12(8-10)18(15,16)9-4-2-1-3-5-9/h1-8H |
InChI Key: | NICPBODIXJSKTB-UHFFFAOYSA-N |
References: | Wilkinson, A., et al. PCT Int. Appl., WO 2019220125, 142pp. (2019). |
Complexity: | 485 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 304.9583278 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 304.9583278 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 90Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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