N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-1-(4-methylphenyl)methanesulfonamide

C18H16FN3O3S — CID 122303161

IUPACN-[2-(2-fluorophenoxy)pyrimidin-5-yl]-1-(4-methylphenyl)methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)Nc2cnc(Oc3ccccc3F)nc2)cc1
InChIInChI=1S/C18H16FN3O3S/c1-13-6-8-14(9-7-13)12-26(23,24)22-15-10-20-18(21-11-15)25-17-5-3-2-4-16(17)19/h2-11,22H,12H2,1H3
InChIKeyFEYXEOVRXSITEU-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.66
Rot. Bonds6

About N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-1-(4-methylphenyl)methanesulfonamide

N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-1-(4-methylphenyl)methanesulfonamide (PubChem CID 122303161) has the molecular formula C18H16FN3O3S and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-1-(4-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)pyrimidin-5-yl]-1-(4-methylphenyl)methanesulfonamide
PubChem CID122303161
Molecular FormulaC18H16FN3O3S
Molecular Weight373.41 g/mol
Exact Mass373.09
IUPAC NameN-[2-(2-fluorophenoxy)pyrimidin-5-yl]-1-(4-methylphenyl)methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)Nc2cnc(Oc3ccccc3F)nc2)cc1
InChIInChI=1S/C18H16FN3O3S/c1-13-6-8-14(9-7-13)12-26(23,24)22-15-10-20-18(21-11-15)25-17-5-3-2-4-16(17)19/h2-11,22H,12H2,1H3
InChIKeyFEYXEOVRXSITEU-UHFFFAOYSA-N
XLogP3.66
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-N-(2-phenoxypyrimidin-5-yl)methanesulfonamide
CID 122302499
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-1-phenylmethanesulfonamide
CID 122303319
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(3-methylphenyl)acetamide
CID 122302992
4-ethoxy-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-methylbenzenesulfonamide
CID 122303147
3,4-difluoro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]benzenesulfonamide
CID 91968436
1-[2-(2-fluorophenoxy)pyrimidin-5-yl]-N-methylmethanamine
CID 113388358
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(4-methoxyphenoxy)acetamide
CID 122302986
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(trifluoromethoxy)benzenesulfonamide
CID 122303163
1-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-phenylurea
CID 71799859
1-(4-methylphenyl)-N-(5-phenyl-3-pyridinyl)methanesulfonamide
CID 110713753
3-chloro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-4-methoxybenzenesulfonamide
CID 71799831
1-(3,5-difluorophenyl)-N-(2-methoxypyrimidin-5-yl)methanesulfonamide
CID 122301682

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-1-(4-methylphenyl)methanesulfonamide?
The IUPAC name of N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-1-(4-methylphenyl)methanesulfonamide (CID 122303161) is N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-1-(4-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-1-(4-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-1-(4-methylphenyl)methanesulfonamide is Cc1ccc(CS(=O)(=O)Nc2cnc(Oc3ccccc3F)nc2)cc1.
What is the InChIKey of N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-1-(4-methylphenyl)methanesulfonamide?
The InChIKey is FEYXEOVRXSITEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3S/c1-13-6-8-14(9-7-13)12-26(23,24)22-15-10-20-18(21-11-15)25-17-5-3-2-4-16(17)19/h2-11,22H,12H2,1H3.
What are the key properties of N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-1-(4-methylphenyl)methanesulfonamide?
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-1-(4-methylphenyl)methanesulfonamide has a molecular weight of 373.41 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-1-(4-methylphenyl)methanesulfonamide is sourced from PubChem (CID 122303161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).