1-(3,5-difluorophenyl)-N-(2-methoxypyrimidin-5-yl)methanesulfonamide

C12H11F2N3O3S — CID 122301682

IUPAC1-(3,5-difluorophenyl)-N-(2-methoxypyrimidin-5-yl)methanesulfonamide
SMILESCOc1ncc(NS(=O)(=O)Cc2cc(F)cc(F)c2)cn1
InChIInChI=1S/C12H11F2N3O3S/c1-20-12-15-5-11(6-16-12)17-21(18,19)7-8-2-9(13)4-10(14)3-8/h2-6,17H,7H2,1H3
InChIKeyYJSNIFABRHLNMY-UHFFFAOYSA-N
MW315.30 g/mol
LogP1.71
Rot. Bonds5

About 1-(3,5-difluorophenyl)-N-(2-methoxypyrimidin-5-yl)methanesulfonamide

1-(3,5-difluorophenyl)-N-(2-methoxypyrimidin-5-yl)methanesulfonamide (PubChem CID 122301682) has the molecular formula C12H11F2N3O3S and a molecular weight of 315.30 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-N-(2-methoxypyrimidin-5-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-N-(2-methoxypyrimidin-5-yl)methanesulfonamide
PubChem CID122301682
Molecular FormulaC12H11F2N3O3S
Molecular Weight315.30 g/mol
Exact Mass315.05
IUPAC Name1-(3,5-difluorophenyl)-N-(2-methoxypyrimidin-5-yl)methanesulfonamide
SMILESCOc1ncc(NS(=O)(=O)Cc2cc(F)cc(F)c2)cn1
InChIInChI=1S/C12H11F2N3O3S/c1-20-12-15-5-11(6-16-12)17-21(18,19)7-8-2-9(13)4-10(14)3-8/h2-6,17H,7H2,1H3
InChIKeyYJSNIFABRHLNMY-UHFFFAOYSA-N
XLogP1.71
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3,5-difluorophenyl)-N-(2-methoxypyrimidin-5-yl)methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chlorophenyl)-N-(2-methoxypyrimidin-5-yl)methanesulfonamide
CID 122301719
1-(4-fluorophenyl)-N-(2-phenoxypyrimidin-5-yl)methanesulfonamide
CID 122302499
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-1-(4-methylphenyl)methanesulfonamide
CID 122303161
2,6-difluoro-N-(2-methoxypyrimidin-5-yl)benzenesulfonamide
CID 122301669
N-(3-amino-4-methoxyphenyl)-1-(4-fluorophenyl)methanesulfonamide
CID 43604676
1-(4-fluorophenyl)-N-(5-fluoro-3-pyridinyl)methanesulfonamide
CID 110872384
2-(4-fluorophenyl)-N-(2-methoxypyrimidin-5-yl)acetamide
CID 71799750
1-(3,5-difluorophenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide
CID 122286051
1-(3,5-difluorophenyl)-N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]methanesulfonamide
CID 71842852
1-[(3,5-difluorophenyl)methylsulfonylmethyl]-3,5-difluorobenzene
CID 68587062
N-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)methanesulfonamide
CID 103944038
N-(2-methoxypyrimidin-5-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 91968408

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-N-(2-methoxypyrimidin-5-yl)methanesulfonamide?
The IUPAC name of 1-(3,5-difluorophenyl)-N-(2-methoxypyrimidin-5-yl)methanesulfonamide (CID 122301682) is 1-(3,5-difluorophenyl)-N-(2-methoxypyrimidin-5-yl)methanesulfonamide.
What is the SMILES notation for 1-(3,5-difluorophenyl)-N-(2-methoxypyrimidin-5-yl)methanesulfonamide?
The canonical SMILES for 1-(3,5-difluorophenyl)-N-(2-methoxypyrimidin-5-yl)methanesulfonamide is COc1ncc(NS(=O)(=O)Cc2cc(F)cc(F)c2)cn1.
What is the InChIKey of 1-(3,5-difluorophenyl)-N-(2-methoxypyrimidin-5-yl)methanesulfonamide?
The InChIKey is YJSNIFABRHLNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O3S/c1-20-12-15-5-11(6-16-12)17-21(18,19)7-8-2-9(13)4-10(14)3-8/h2-6,17H,7H2,1H3.
What are the key properties of 1-(3,5-difluorophenyl)-N-(2-methoxypyrimidin-5-yl)methanesulfonamide?
1-(3,5-difluorophenyl)-N-(2-methoxypyrimidin-5-yl)methanesulfonamide has a molecular weight of 315.30 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-N-(2-methoxypyrimidin-5-yl)methanesulfonamide is sourced from PubChem (CID 122301682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).