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

C19H17FN4O2S — CID 90312708

IUPAC2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-cyclopropylbenzenesulfonamide
SMILESNc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)NC3CC3)cc2F)cn1
InChIInChI=1S/C19H17FN4O2S/c20-17-9-12(5-8-15(17)13-10-22-19(21)23-11-13)16-3-1-2-4-18(16)27(25,26)24-14-6-7-14/h1-5,8-11,14,24H,6-7H2,(H2,21,22,23)
InChIKeyHZVMLWUEOXUFTH-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.97
Rot. Bonds5

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

2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-cyclopropylbenzenesulfonamide (PubChem CID 90312708) has the molecular formula C19H17FN4O2S and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-cyclopropylbenzenesulfonamide.

Molecular Properties

Compound Name2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-cyclopropylbenzenesulfonamide
PubChem CID90312708
Molecular FormulaC19H17FN4O2S
Molecular Weight384.44 g/mol
Exact Mass384.11
IUPAC Name2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-cyclopropylbenzenesulfonamide
SMILESNc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)NC3CC3)cc2F)cn1
InChIInChI=1S/C19H17FN4O2S/c20-17-9-12(5-8-15(17)13-10-22-19(21)23-11-13)16-3-1-2-4-18(16)27(25,26)24-14-6-7-14/h1-5,8-11,14,24H,6-7H2,(H2,21,22,23)
InChIKeyHZVMLWUEOXUFTH-UHFFFAOYSA-N
XLogP2.97
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.97
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
4-amino-N-[4-[(E)-2-(2-fluorophenyl)ethenyl]pyrimidin-2-yl]benzenesulfonamide
CID 5337444
N-{1-Cyclohexyl-4-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-butyl}-4-fluoro-benzenesulfonamide
CID 15729907
4-Fluoro-N-{1-(4-fluoro-naphthalen-1-yl)-4-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-butyl}-benzenesulfonamide
CID 15729921
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
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
5-[2-Fluoro-4-(2-morpholin-4-ylsulfonylphenyl)phenyl]pyrimidin-2-amine
CID 90312782

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-cyclopropylbenzenesulfonamide?
The IUPAC name of 2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-cyclopropylbenzenesulfonamide (CID 90312708) is 2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-cyclopropylbenzenesulfonamide.
What is the SMILES notation for 2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-cyclopropylbenzenesulfonamide?
The canonical SMILES for 2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-cyclopropylbenzenesulfonamide is Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)NC3CC3)cc2F)cn1.
What is the InChIKey of 2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-cyclopropylbenzenesulfonamide?
The InChIKey is HZVMLWUEOXUFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2S/c20-17-9-12(5-8-15(17)13-10-22-19(21)23-11-13)16-3-1-2-4-18(16)27(25,26)24-14-6-7-14/h1-5,8-11,14,24H,6-7H2,(H2,21,22,23).
What are the key properties of 2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-cyclopropylbenzenesulfonamide?
2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-cyclopropylbenzenesulfonamide has a molecular weight of 384.44 g/mol, XLogP of 2.97, 5 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-cyclopropylbenzenesulfonamide is sourced from PubChem (CID 90312708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).