2-Chloro-7-(phenylsulfonyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic Acid - CAS 1638767-43-7
Catalog: |
BB069665 |
Product Name: |
2-Chloro-7-(phenylsulfonyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic Acid |
CAS: |
1638767-43-7 |
Synonyms: |
7-(Benzenesulfonyl)-2-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid; 2-Chloro-7-(phenylsulfonyl)-7-deazapurine-6-carboxylic acid; 2-Chloro-7-(phenylsulfonyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid; 7-(BENZENESULFONYL)-2-CHLOROPYRROLO[2,3-D]PYRIMIDINE-6-CARBOXYLIC ACID; 7H-Pyrrolo[2,3-d]pyrimidine-6-carboxylic acid, 2-chloro-7-(phenylsulfonyl)- |
IUPAC Name: | 7-(benzenesulfonyl)-2-chloropyrrolo[2,3-d]pyrimidine-6-carboxylic acid |
Description: | 2-Chloro-7-(phenylsulfonyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic Acid |
Molecular Weight: | 337.74 |
Molecular Formula: | C13H8ClN3O4S |
Canonical SMILES: | C1=CC=C(C=C1)S(=O)(=O)N2C(=CC3=CN=C(N=C32)Cl)C(=O)O |
InChI: | InChI=1S/C13H8ClN3O4S/c14-13-15-7-8-6-10(12(18)19)17(11(8)16-13)22(20,21)9-4-2-1-3-5-9/h1-7H,(H,18,19) |
InChI Key: | AMGRLUQLXMPYJB-UHFFFAOYSA-N |
Complexity: | 532 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 336.9924046 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 336.9924046 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 111Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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