2-chloro-N-(4,6-dimethylpyrimidin-2-yl)-5-fluorobenzenesulfonamide

C12H11ClFN3O2S — CID 86790541

IUPAC2-chloro-N-(4,6-dimethylpyrimidin-2-yl)-5-fluorobenzenesulfonamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2cc(F)ccc2Cl)n1
InChIInChI=1S/C12H11ClFN3O2S/c1-7-5-8(2)16-12(15-7)17-20(18,19)11-6-9(14)3-4-10(11)13/h3-6H,1-2H3,(H,15,16,17)
InChIKeyYZOFEDHCGUJBGP-UHFFFAOYSA-N
MW315.76 g/mol
LogP2.69
Rot. Bonds3

About 2-chloro-N-(4,6-dimethylpyrimidin-2-yl)-5-fluorobenzenesulfonamide

2-chloro-N-(4,6-dimethylpyrimidin-2-yl)-5-fluorobenzenesulfonamide (PubChem CID 86790541) has the molecular formula C12H11ClFN3O2S and a molecular weight of 315.76 g/mol. Its IUPAC name is 2-chloro-N-(4,6-dimethylpyrimidin-2-yl)-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(4,6-dimethylpyrimidin-2-yl)-5-fluorobenzenesulfonamide
PubChem CID86790541
Molecular FormulaC12H11ClFN3O2S
Molecular Weight315.76 g/mol
Exact Mass315.02
IUPAC Name2-chloro-N-(4,6-dimethylpyrimidin-2-yl)-5-fluorobenzenesulfonamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2cc(F)ccc2Cl)n1
InChIInChI=1S/C12H11ClFN3O2S/c1-7-5-8(2)16-12(15-7)17-20(18,19)11-6-9(14)3-4-10(11)13/h3-6H,1-2H3,(H,15,16,17)
InChIKeyYZOFEDHCGUJBGP-UHFFFAOYSA-N
XLogP2.69
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 29301609
N-(2-amino-4,5-dimethylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399559
2-chloro-5-fluoro-N-phenylbenzenesulfonamide
CID 115610692
2,5-dichloro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 2218577
3-amino-5-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-fluorobenzenesulfonamide
CID 103050411
N-(5-bromo-2-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 115610711
N-(2-bromo-5-chloro-4-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105400255
2-chloro-5-fluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
CID 113259716
N-(4-amino-5-chloro-2-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399609
4-chloro-3-cyano-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 75521913
N-(3-bromo-4-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 115610706
N-(4-bromo-3-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 115610699

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4,6-dimethylpyrimidin-2-yl)-5-fluorobenzenesulfonamide?
The IUPAC name of 2-chloro-N-(4,6-dimethylpyrimidin-2-yl)-5-fluorobenzenesulfonamide (CID 86790541) is 2-chloro-N-(4,6-dimethylpyrimidin-2-yl)-5-fluorobenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(4,6-dimethylpyrimidin-2-yl)-5-fluorobenzenesulfonamide?
The canonical SMILES for 2-chloro-N-(4,6-dimethylpyrimidin-2-yl)-5-fluorobenzenesulfonamide is Cc1cc(C)nc(NS(=O)(=O)c2cc(F)ccc2Cl)n1.
What is the InChIKey of 2-chloro-N-(4,6-dimethylpyrimidin-2-yl)-5-fluorobenzenesulfonamide?
The InChIKey is YZOFEDHCGUJBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O2S/c1-7-5-8(2)16-12(15-7)17-20(18,19)11-6-9(14)3-4-10(11)13/h3-6H,1-2H3,(H,15,16,17).
What are the key properties of 2-chloro-N-(4,6-dimethylpyrimidin-2-yl)-5-fluorobenzenesulfonamide?
2-chloro-N-(4,6-dimethylpyrimidin-2-yl)-5-fluorobenzenesulfonamide has a molecular weight of 315.76 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4,6-dimethylpyrimidin-2-yl)-5-fluorobenzenesulfonamide is sourced from PubChem (CID 86790541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).