2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-methylbenzenesulfonamide

C17H15FN4O2S — CID 90312969

IUPAC2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1
InChIInChI=1S/C17H15FN4O2S/c1-20-25(23,24)16-5-3-2-4-14(16)11-6-7-13(15(18)8-11)12-9-21-17(19)22-10-12/h2-10,20H,1H3,(H2,19,21,22)
InChIKeyBOAJZVIFWACYLN-UHFFFAOYSA-N
MW358.40 g/mol
LogP2.44
Rot. Bonds4

About 2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-methylbenzenesulfonamide

2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-methylbenzenesulfonamide (PubChem CID 90312969) has the molecular formula C17H15FN4O2S and a molecular weight of 358.40 g/mol. Its IUPAC name is 2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-methylbenzenesulfonamide
PubChem CID90312969
Molecular FormulaC17H15FN4O2S
Molecular Weight358.40 g/mol
Exact Mass358.09
IUPAC Name2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1
InChIInChI=1S/C17H15FN4O2S/c1-20-25(23,24)16-5-3-2-4-14(16)11-6-7-13(15(18)8-11)12-9-21-17(19)22-10-12/h2-10,20H,1H3,(H2,19,21,22)
InChIKeyBOAJZVIFWACYLN-UHFFFAOYSA-N
XLogP2.44
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-2-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-fluorophenyl]benzenesulfonamide
CID 90313567
2-[6-(2-Aminopyrimidin-5-yl)-5-fluoropyridin-3-yl]-N-tert-butylbenzenesulfonamide
CID 90313798
2-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 90314172
1-((4'-(2-Aminopyrimidin-5-yl)-3'-fluoro-[1,1'-biphenyl]-2-yl)sulfonyl)-3-(trifluoromethyl)azetidin-3-ol
CID 90314506
N-benzyl-4-(4-fluorophenyl)-5-(4-(methylsulfonyl)phenyl)pyrimidin-2-amine
CID 45272855
4-[2-(2-Fluoro-5-methylanilino)pyrimidin-4-yl]benzenesulfonamide
CID 52943026
4-amino-N-[4-[(E)-2-(2-fluorophenyl)ethenyl]pyrimidin-2-yl]benzenesulfonamide
CID 5337444
5-[4-[2-(4-Cyclopropylpiperazin-1-yl)sulfonylphenyl]-2-fluorophenyl]pyrimidin-2-amine
CID 90312486
4'-(2-Aminopyrimidin-5-yl)-3'-fluoro-N-methyl-4-(trifluoromethyl)biphenyl-2-sulfonamide
CID 90312662
2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-cyclopropylbenzenesulfonamide
CID 90312708
4'-(2-Aminopyrimidin-5-yl)-3'-fluoro-N-methyl-N-[(3R)-piperidin-3-yl]biphenyl-2-sulfonamide
CID 90312768
4'-(2-Aminopyrimidin-5-yl)-3'-fluoro-N-[(3S)-2-oxopyrrolidin-3-yl]biphenyl-2-sulfonamide
CID 90312772

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-methylbenzenesulfonamide?
The IUPAC name of 2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-methylbenzenesulfonamide (CID 90312969) is 2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1.
What is the InChIKey of 2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-methylbenzenesulfonamide?
The InChIKey is BOAJZVIFWACYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2S/c1-20-25(23,24)16-5-3-2-4-14(16)11-6-7-13(15(18)8-11)12-9-21-17(19)22-10-12/h2-10,20H,1H3,(H2,19,21,22).
What are the key properties of 2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-methylbenzenesulfonamide?
2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-methylbenzenesulfonamide has a molecular weight of 358.40 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 90312969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).