5-amino-2-chloro-4-fluoro-N-pyrimidin-5-ylbenzenesulfonamide

C10H8ClFN4O2S — CID 107587500

IUPAC5-amino-2-chloro-4-fluoro-N-pyrimidin-5-ylbenzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2cncnc2)c(Cl)cc1F
InChIInChI=1S/C10H8ClFN4O2S/c11-7-1-8(12)9(13)2-10(7)19(17,18)16-6-3-14-5-15-4-6/h1-5,16H,13H2
InChIKeyFQWXYGQXVUEDQO-UHFFFAOYSA-N
MW302.72 g/mol
LogP1.65
Rot. Bonds3

About 5-amino-2-chloro-4-fluoro-N-pyrimidin-5-ylbenzenesulfonamide

5-amino-2-chloro-4-fluoro-N-pyrimidin-5-ylbenzenesulfonamide (PubChem CID 107587500) has the molecular formula C10H8ClFN4O2S and a molecular weight of 302.72 g/mol. Its IUPAC name is 5-amino-2-chloro-4-fluoro-N-pyrimidin-5-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-4-fluoro-N-pyrimidin-5-ylbenzenesulfonamide
PubChem CID107587500
Molecular FormulaC10H8ClFN4O2S
Molecular Weight302.72 g/mol
Exact Mass302.00
IUPAC Name5-amino-2-chloro-4-fluoro-N-pyrimidin-5-ylbenzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2cncnc2)c(Cl)cc1F
InChIInChI=1S/C10H8ClFN4O2S/c11-7-1-8(12)9(13)2-10(7)19(17,18)16-6-3-14-5-15-4-6/h1-5,16H,13H2
InChIKeyFQWXYGQXVUEDQO-UHFFFAOYSA-N
XLogP1.65
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-bromo-4-fluoro-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587514
5-amino-2-chloro-N-(4-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide
CID 83166065
5-amino-2-chloro-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587461
5-amino-2-chloro-4-fluoro-N-(3-methylphenyl)benzenesulfonamide
CID 61111881
5-amino-2-chloro-N-(4-cyanophenyl)-4-fluorobenzenesulfonamide
CID 61111884
5-amino-2-chloro-N-(2-chlorophenyl)-4-fluorobenzenesulfonamide
CID 61110957
5-amino-2-chloro-4-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
CID 61112072
4-bromo-2-chloro-N-pyrimidin-5-ylbenzenesulfonamide
CID 104856694
5-amino-2-fluoro-3-methyl-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587452
3-chloro-4-(pyrimidin-5-ylsulfamoyl)benzenecarbothioamide
CID 107588792
5-amino-2-bromo-4-fluoro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584554
5-amino-2-chloro-N-(2,2-dimethylpropyl)-4-fluorobenzenesulfonamide
CID 61165880

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-4-fluoro-N-pyrimidin-5-ylbenzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-4-fluoro-N-pyrimidin-5-ylbenzenesulfonamide (CID 107587500) is 5-amino-2-chloro-4-fluoro-N-pyrimidin-5-ylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-4-fluoro-N-pyrimidin-5-ylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-4-fluoro-N-pyrimidin-5-ylbenzenesulfonamide is Nc1cc(S(=O)(=O)Nc2cncnc2)c(Cl)cc1F.
What is the InChIKey of 5-amino-2-chloro-4-fluoro-N-pyrimidin-5-ylbenzenesulfonamide?
The InChIKey is FQWXYGQXVUEDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN4O2S/c11-7-1-8(12)9(13)2-10(7)19(17,18)16-6-3-14-5-15-4-6/h1-5,16H,13H2.
What are the key properties of 5-amino-2-chloro-4-fluoro-N-pyrimidin-5-ylbenzenesulfonamide?
5-amino-2-chloro-4-fluoro-N-pyrimidin-5-ylbenzenesulfonamide has a molecular weight of 302.72 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-4-fluoro-N-pyrimidin-5-ylbenzenesulfonamide is sourced from PubChem (CID 107587500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).