1-(4-fluorophenyl)-N-(2-phenoxypyrimidin-5-yl)methanesulfonamide

C17H14FN3O3S — CID 122302499

IUPAC1-(4-fluorophenyl)-N-(2-phenoxypyrimidin-5-yl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)Nc1cnc(Oc2ccccc2)nc1
InChIInChI=1S/C17H14FN3O3S/c18-14-8-6-13(7-9-14)12-25(22,23)21-15-10-19-17(20-11-15)24-16-4-2-1-3-5-16/h1-11,21H,12H2
InChIKeyWPWBGENXSUGNDY-UHFFFAOYSA-N
MW359.38 g/mol
LogP3.35
Rot. Bonds6

About 1-(4-fluorophenyl)-N-(2-phenoxypyrimidin-5-yl)methanesulfonamide

1-(4-fluorophenyl)-N-(2-phenoxypyrimidin-5-yl)methanesulfonamide (PubChem CID 122302499) has the molecular formula C17H14FN3O3S and a molecular weight of 359.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(2-phenoxypyrimidin-5-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(2-phenoxypyrimidin-5-yl)methanesulfonamide
PubChem CID122302499
Molecular FormulaC17H14FN3O3S
Molecular Weight359.38 g/mol
Exact Mass359.07
IUPAC Name1-(4-fluorophenyl)-N-(2-phenoxypyrimidin-5-yl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)Nc1cnc(Oc2ccccc2)nc1
InChIInChI=1S/C17H14FN3O3S/c18-14-8-6-13(7-9-14)12-25(22,23)21-15-10-19-17(20-11-15)24-16-4-2-1-3-5-16/h1-11,21H,12H2
InChIKeyWPWBGENXSUGNDY-UHFFFAOYSA-N
XLogP3.35
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-1-(4-methylphenyl)methanesulfonamide
CID 122303161
N-(4-phenoxyphenyl)-1-phenylmethanesulfonamide
CID 8512912
1-(4-fluorophenyl)-N-pyrazin-2-ylmethanesulfonamide
CID 86804588
1-(4-fluorophenyl)-N-(5-fluoro-3-pyridinyl)methanesulfonamide
CID 110872384
1-(3,5-difluorophenyl)-N-(2-methoxypyrimidin-5-yl)methanesulfonamide
CID 122301682
2-[(4-fluorophenyl)methylsulfonylamino]-N-phenylethanesulfonamide
CID 110601354
1-(4-fluorophenyl)-N-[4-(hydroxymethyl)phenyl]methanesulfonamide
CID 64792669
N-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)methanesulfonamide
CID 103944038
4-nitro-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide
CID 122302577
2-[4-(benzenesulfonyl)phenoxy]-5-fluoropyrimidine
CID 166234271
N-(2-chloropyrimidin-4-yl)-1-(4-fluorophenyl)methanesulfonamide
CID 116798756
1-(4-fluorophenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]methanesulfonamide
CID 90596395

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(2-phenoxypyrimidin-5-yl)methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(2-phenoxypyrimidin-5-yl)methanesulfonamide (CID 122302499) is 1-(4-fluorophenyl)-N-(2-phenoxypyrimidin-5-yl)methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(2-phenoxypyrimidin-5-yl)methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(2-phenoxypyrimidin-5-yl)methanesulfonamide is O=S(=O)(Cc1ccc(F)cc1)Nc1cnc(Oc2ccccc2)nc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(2-phenoxypyrimidin-5-yl)methanesulfonamide?
The InChIKey is WPWBGENXSUGNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O3S/c18-14-8-6-13(7-9-14)12-25(22,23)21-15-10-19-17(20-11-15)24-16-4-2-1-3-5-16/h1-11,21H,12H2.
What are the key properties of 1-(4-fluorophenyl)-N-(2-phenoxypyrimidin-5-yl)methanesulfonamide?
1-(4-fluorophenyl)-N-(2-phenoxypyrimidin-5-yl)methanesulfonamide has a molecular weight of 359.38 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(2-phenoxypyrimidin-5-yl)methanesulfonamide is sourced from PubChem (CID 122302499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).