2-[6-chloro-2-(methylamino)pyrimidin-4-yl]-4-fluorobenzenesulfonamide

C11H10ClFN4O2S — CID 151747002

IUPAC2-[6-chloro-2-(methylamino)pyrimidin-4-yl]-4-fluorobenzenesulfonamide
SMILESCNc1nc(Cl)cc(-c2cc(F)ccc2S(N)(=O)=O)n1
InChIInChI=1S/C11H10ClFN4O2S/c1-15-11-16-8(5-10(12)17-11)7-4-6(13)2-3-9(7)20(14,18)19/h2-5H,1H3,(H2,14,18,19)(H,15,16,17)
InChIKeyRNSOFWHMOHIUSZ-UHFFFAOYSA-N
MW316.75 g/mol
LogP1.63
Rot. Bonds3

About 2-[6-chloro-2-(methylamino)pyrimidin-4-yl]-4-fluorobenzenesulfonamide

2-[6-chloro-2-(methylamino)pyrimidin-4-yl]-4-fluorobenzenesulfonamide (PubChem CID 151747002) has the molecular formula C11H10ClFN4O2S and a molecular weight of 316.75 g/mol. Its IUPAC name is 2-[6-chloro-2-(methylamino)pyrimidin-4-yl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-[6-chloro-2-(methylamino)pyrimidin-4-yl]-4-fluorobenzenesulfonamide
PubChem CID151747002
Molecular FormulaC11H10ClFN4O2S
Molecular Weight316.75 g/mol
Exact Mass316.02
IUPAC Name2-[6-chloro-2-(methylamino)pyrimidin-4-yl]-4-fluorobenzenesulfonamide
SMILESCNc1nc(Cl)cc(-c2cc(F)ccc2S(N)(=O)=O)n1
InChIInChI=1S/C11H10ClFN4O2S/c1-15-11-16-8(5-10(12)17-11)7-4-6(13)2-3-9(7)20(14,18)19/h2-5H,1H3,(H2,14,18,19)(H,15,16,17)
InChIKeyRNSOFWHMOHIUSZ-UHFFFAOYSA-N
XLogP1.63
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.75
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-{[(3-chloro-4-fluorophenyl)amino][(4,6-dimethyl-2-pyrimidinyl)amino]methylene}-1-phenylmethanesulfonamide
CID 5554534
4-(2-(Cyclohexylamino)-6-(trifluoromethyl)pyrimidin-4-yl)benzenesulfonamide
CID 45269513
4-(2-(Butylamino)-6-(trifluoromethyl)pyrimidin-4-yl)benzenesulfonamide
CID 45270349
4-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 717511
4-[(2,6-dichlorophenyl)methylamino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 9867711
4-[[4-(4-Chlorophenyl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 11588556
4-(4-chlorophenyl)-N-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]pyrimidin-2-amine
CID 54581024
4-(4-chlorophenyl)-N-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine
CID 54582057
4-(4-chlorophenyl)-N-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine
CID 54584010
4-(4-chlorophenyl)-N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine
CID 54584011
4-(4-chlorophenyl)-N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine
CID 54584950
4-(2-{[2-Amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino}ethyl)benzene-1-sulfonamide
CID 90190147

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-2-(methylamino)pyrimidin-4-yl]-4-fluorobenzenesulfonamide?
The IUPAC name of 2-[6-chloro-2-(methylamino)pyrimidin-4-yl]-4-fluorobenzenesulfonamide (CID 151747002) is 2-[6-chloro-2-(methylamino)pyrimidin-4-yl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for 2-[6-chloro-2-(methylamino)pyrimidin-4-yl]-4-fluorobenzenesulfonamide?
The canonical SMILES for 2-[6-chloro-2-(methylamino)pyrimidin-4-yl]-4-fluorobenzenesulfonamide is CNc1nc(Cl)cc(-c2cc(F)ccc2S(N)(=O)=O)n1.
What is the InChIKey of 2-[6-chloro-2-(methylamino)pyrimidin-4-yl]-4-fluorobenzenesulfonamide?
The InChIKey is RNSOFWHMOHIUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN4O2S/c1-15-11-16-8(5-10(12)17-11)7-4-6(13)2-3-9(7)20(14,18)19/h2-5H,1H3,(H2,14,18,19)(H,15,16,17).
What are the key properties of 2-[6-chloro-2-(methylamino)pyrimidin-4-yl]-4-fluorobenzenesulfonamide?
2-[6-chloro-2-(methylamino)pyrimidin-4-yl]-4-fluorobenzenesulfonamide has a molecular weight of 316.75 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-2-(methylamino)pyrimidin-4-yl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 151747002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).