2-[6-(2-aminopyrimidin-5-yl)-5-fluoro-2-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide

C18H18FN5O3S — CID 118598423

IUPAC2-[6-(2-aminopyrimidin-5-yl)-5-fluoro-2-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
SMILESC[C@H](CO)NS(=O)(=O)c1ccccc1-c1ccc(F)c(-c2cnc(N)nc2)n1
InChIInChI=1S/C18H18FN5O3S/c1-11(10-25)24-28(26,27)16-5-3-2-4-13(16)15-7-6-14(19)17(23-15)12-8-21-18(20)22-9-12/h2-9,11,24-25H,10H2,1H3,(H2,20,21,22)/t11-/m1/s1
InChIKeyOYCPKTWXZYUUOW-LLVKDONJSA-N
MW403.44 g/mol
LogP1.59
Rot. Bonds6

About 2-[6-(2-aminopyrimidin-5-yl)-5-fluoro-2-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide

2-[6-(2-aminopyrimidin-5-yl)-5-fluoro-2-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide (PubChem CID 118598423) has the molecular formula C18H18FN5O3S and a molecular weight of 403.44 g/mol. Its IUPAC name is 2-[6-(2-aminopyrimidin-5-yl)-5-fluoro-2-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[6-(2-aminopyrimidin-5-yl)-5-fluoro-2-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
PubChem CID118598423
Molecular FormulaC18H18FN5O3S
Molecular Weight403.44 g/mol
Exact Mass403.11
IUPAC Name2-[6-(2-aminopyrimidin-5-yl)-5-fluoro-2-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
SMILESC[C@H](CO)NS(=O)(=O)c1ccccc1-c1ccc(F)c(-c2cnc(N)nc2)n1
InChIInChI=1S/C18H18FN5O3S/c1-11(10-25)24-28(26,27)16-5-3-2-4-13(16)15-7-6-14(19)17(23-15)12-8-21-18(20)22-9-12/h2-9,11,24-25H,10H2,1H3,(H2,20,21,22)/t11-/m1/s1
InChIKeyOYCPKTWXZYUUOW-LLVKDONJSA-N
XLogP1.59
TPSA131.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-aminopyrimidin-5-yl)-5-fluoro-2-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide?
The IUPAC name of 2-[6-(2-aminopyrimidin-5-yl)-5-fluoro-2-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide (CID 118598423) is 2-[6-(2-aminopyrimidin-5-yl)-5-fluoro-2-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2-[6-(2-aminopyrimidin-5-yl)-5-fluoro-2-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide?
The canonical SMILES for 2-[6-(2-aminopyrimidin-5-yl)-5-fluoro-2-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide is C[C@H](CO)NS(=O)(=O)c1ccccc1-c1ccc(F)c(-c2cnc(N)nc2)n1.
What is the InChIKey of 2-[6-(2-aminopyrimidin-5-yl)-5-fluoro-2-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide?
The InChIKey is OYCPKTWXZYUUOW-LLVKDONJSA-N. The full InChI is InChI=1S/C18H18FN5O3S/c1-11(10-25)24-28(26,27)16-5-3-2-4-13(16)15-7-6-14(19)17(23-15)12-8-21-18(20)22-9-12/h2-9,11,24-25H,10H2,1H3,(H2,20,21,22)/t11-/m1/s1.
What are the key properties of 2-[6-(2-aminopyrimidin-5-yl)-5-fluoro-2-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide?
2-[6-(2-aminopyrimidin-5-yl)-5-fluoro-2-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide has a molecular weight of 403.44 g/mol, XLogP of 1.59, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-aminopyrimidin-5-yl)-5-fluoro-2-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 118598423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).