Pyrimidine-5-sulfonamide - CAS 98621-75-1
Catalog: |
BB042199 |
Product Name: |
Pyrimidine-5-sulfonamide |
CAS: |
98621-75-1 |
Synonyms: |
5-pyrimidinesulfonamide; pyrimidine-5-sulfonamide |
IUPAC Name: | pyrimidine-5-sulfonamide |
Description: | Pyrimidine-5-sulfonamide (CAS# 98621-75-1 ) is a useful research chemical. |
Molecular Weight: | 159.17 |
Molecular Formula: | C4H5N3O2S |
Canonical SMILES: | C1=C(C=NC=N1)S(=O)(=O)N |
InChI: | InChI=1S/C4H5N3O2S/c5-10(8,9)4-1-6-3-7-2-4/h1-3H,(H2,5,8,9) |
InChI Key: | NIRIGNIPEFMZHT-UHFFFAOYSA-N |
LogP: | 0.90510 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021061803-A1 | Phosphodiesterase inhibitors and use | 20190923 |
WO-2021029450-A1 | Novel pyrimidine sulfonamide derivative, and pharmaceutical composition for preventing or treating cancer comprising same as active ingredient | 20190809 |
KR-102278691-B1 | Novel pyrimidine sulfonamide derivatives | 20190809 |
KR-102282712-B1 | A pharmaceutical composition comprising novel pyrimidine sulfonamide derivatives for preventing or treating cancer | 20190809 |
KR-20210017856-A | Novel pyrimidine sulfonamide derivatives | 20190809 |
Complexity: | 189 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 159.01024758 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 159.01024758 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 94.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.2 |
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