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

C10H7ClFN3O2S — CID 114052249

IUPACN-(4-chloropyrimidin-2-yl)-2-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1nccc(Cl)n1)c1ccccc1F
InChIInChI=1S/C10H7ClFN3O2S/c11-9-5-6-13-10(14-9)15-18(16,17)8-4-2-1-3-7(8)12/h1-6H,(H,13,14,15)
InChIKeyJAQYBMSCIMIXKP-UHFFFAOYSA-N
MW287.70 g/mol
LogP2.07
Rot. Bonds3

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

N-(4-chloropyrimidin-2-yl)-2-fluorobenzenesulfonamide (PubChem CID 114052249) has the molecular formula C10H7ClFN3O2S and a molecular weight of 287.70 g/mol. Its IUPAC name is N-(4-chloropyrimidin-2-yl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-chloropyrimidin-2-yl)-2-fluorobenzenesulfonamide
PubChem CID114052249
Molecular FormulaC10H7ClFN3O2S
Molecular Weight287.70 g/mol
Exact Mass286.99
IUPAC NameN-(4-chloropyrimidin-2-yl)-2-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1nccc(Cl)n1)c1ccccc1F
InChIInChI=1S/C10H7ClFN3O2S/c11-9-5-6-13-10(14-9)15-18(16,17)8-4-2-1-3-7(8)12/h1-6H,(H,13,14,15)
InChIKeyJAQYBMSCIMIXKP-UHFFFAOYSA-N
XLogP2.07
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.70
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(4-chloropyrimidin-2-yl)benzenesulfonamide
CID 114052205
2-fluoro-N-pyrazin-2-ylbenzenesulfonamide
CID 43616158
2-fluoro-N-(1H-imidazol-2-yl)benzenesulfonamide
CID 63563905
2,5-difluoro-N-pyrimidin-2-ylbenzenesulfonamide
CID 6465175
N-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-fluorobenzenesulfonamide
CID 84599824
N-pyrimidin-2-ylnaphthalene-1-sulfonamide
CID 75483860
N-(6-chloro-5-methyl-3-pyridinyl)-2-fluorobenzenesulfonamide
CID 103744911
2-fluoro-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 113340997
N-(2-chloropyrimidin-4-yl)naphthalene-1-sulfonamide
CID 114795856
N-(6-bromo-2-methyl-3-pyridinyl)-2-fluorobenzenesulfonamide
CID 113349565
N-(6-ethyl-2-pyridinyl)-2-fluorobenzenesulfonamide
CID 25042631
N-(4-cyclopropylpyrimidin-2-yl)-2-ethylbenzenesulfonamide
CID 126825107

Frequently Asked Questions

What is the IUPAC name of N-(4-chloropyrimidin-2-yl)-2-fluorobenzenesulfonamide?
The IUPAC name of N-(4-chloropyrimidin-2-yl)-2-fluorobenzenesulfonamide (CID 114052249) is N-(4-chloropyrimidin-2-yl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-(4-chloropyrimidin-2-yl)-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(4-chloropyrimidin-2-yl)-2-fluorobenzenesulfonamide is O=S(=O)(Nc1nccc(Cl)n1)c1ccccc1F.
What is the InChIKey of N-(4-chloropyrimidin-2-yl)-2-fluorobenzenesulfonamide?
The InChIKey is JAQYBMSCIMIXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFN3O2S/c11-9-5-6-13-10(14-9)15-18(16,17)8-4-2-1-3-7(8)12/h1-6H,(H,13,14,15).
What are the key properties of N-(4-chloropyrimidin-2-yl)-2-fluorobenzenesulfonamide?
N-(4-chloropyrimidin-2-yl)-2-fluorobenzenesulfonamide has a molecular weight of 287.70 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloropyrimidin-2-yl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 114052249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).