4-amino-N-(2-chloropyrimidin-4-yl)-2-fluorobenzenesulfonamide

C10H8ClFN4O2S — CID 116794707

IUPAC4-amino-N-(2-chloropyrimidin-4-yl)-2-fluorobenzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ccnc(Cl)n2)c(F)c1
InChIInChI=1S/C10H8ClFN4O2S/c11-10-14-4-3-9(15-10)16-19(17,18)8-2-1-6(13)5-7(8)12/h1-5H,13H2,(H,14,15,16)
InChIKeyMRACKFJUIZCOLU-UHFFFAOYSA-N
MW302.72 g/mol
LogP1.65
Rot. Bonds3

About 4-amino-N-(2-chloropyrimidin-4-yl)-2-fluorobenzenesulfonamide

4-amino-N-(2-chloropyrimidin-4-yl)-2-fluorobenzenesulfonamide (PubChem CID 116794707) has the molecular formula C10H8ClFN4O2S and a molecular weight of 302.72 g/mol. Its IUPAC name is 4-amino-N-(2-chloropyrimidin-4-yl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(2-chloropyrimidin-4-yl)-2-fluorobenzenesulfonamide
PubChem CID116794707
Molecular FormulaC10H8ClFN4O2S
Molecular Weight302.72 g/mol
Exact Mass302.00
IUPAC Name4-amino-N-(2-chloropyrimidin-4-yl)-2-fluorobenzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ccnc(Cl)n2)c(F)c1
InChIInChI=1S/C10H8ClFN4O2S/c11-10-14-4-3-9(15-10)16-19(17,18)8-2-1-6(13)5-7(8)12/h1-5H,13H2,(H,14,15,16)
InChIKeyMRACKFJUIZCOLU-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

2-amino-4-chloro-N-(2-chloropyrimidin-4-yl)benzenesulfonamide
CID 116794766
2-bromo-N-(2-chloropyrimidin-4-yl)-4-fluorobenzenesulfonamide
CID 116795250
5-amino-N-(2-chloropyrimidin-4-yl)-2-fluoro-3-methylbenzenesulfonamide
CID 116794695
4-amino-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 116812616
3-amino-4-[(2-chloropyrimidin-4-yl)sulfamoyl]benzoic acid
CID 116794764
4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-fluorobenzenesulfonamide
CID 104616977
4-amino-2-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 116786251
2,5-dibromo-N-(2-chloropyrimidin-4-yl)-4-methylbenzenesulfonamide
CID 116795242
4-amino-2-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 22411411
2,5-dibromo-N-(2-chloropyrimidin-4-yl)thiophene-3-sulfonamide
CID 116798850
4-amino-N-(2-chloropyrimidin-4-yl)-3-methylbenzenesulfonamide
CID 116794691
N-(2-chloropyrimidin-4-yl)naphthalene-1-sulfonamide
CID 114795856

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-chloropyrimidin-4-yl)-2-fluorobenzenesulfonamide?
The IUPAC name of 4-amino-N-(2-chloropyrimidin-4-yl)-2-fluorobenzenesulfonamide (CID 116794707) is 4-amino-N-(2-chloropyrimidin-4-yl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(2-chloropyrimidin-4-yl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-amino-N-(2-chloropyrimidin-4-yl)-2-fluorobenzenesulfonamide is Nc1ccc(S(=O)(=O)Nc2ccnc(Cl)n2)c(F)c1.
What is the InChIKey of 4-amino-N-(2-chloropyrimidin-4-yl)-2-fluorobenzenesulfonamide?
The InChIKey is MRACKFJUIZCOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN4O2S/c11-10-14-4-3-9(15-10)16-19(17,18)8-2-1-6(13)5-7(8)12/h1-5H,13H2,(H,14,15,16).
What are the key properties of 4-amino-N-(2-chloropyrimidin-4-yl)-2-fluorobenzenesulfonamide?
4-amino-N-(2-chloropyrimidin-4-yl)-2-fluorobenzenesulfonamide 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 4-amino-N-(2-chloropyrimidin-4-yl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 116794707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).