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

C17H14F2N4O2S — CID 90314319

IUPAC2-[4-(2-aminopyrimidin-5-yl)-2,3-difluorophenyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1F
InChIInChI=1S/C17H14F2N4O2S/c1-21-26(24,25)14-5-3-2-4-12(14)13-7-6-11(15(18)16(13)19)10-8-22-17(20)23-9-10/h2-9,21H,1H3,(H2,20,22,23)
InChIKeyXHSDSIRYWYYSPX-UHFFFAOYSA-N
MW376.39 g/mol
LogP2.58
Rot. Bonds4

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

2-[4-(2-aminopyrimidin-5-yl)-2,3-difluorophenyl]-N-methylbenzenesulfonamide (PubChem CID 90314319) has the molecular formula C17H14F2N4O2S and a molecular weight of 376.39 g/mol. Its IUPAC name is 2-[4-(2-aminopyrimidin-5-yl)-2,3-difluorophenyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-[4-(2-aminopyrimidin-5-yl)-2,3-difluorophenyl]-N-methylbenzenesulfonamide
PubChem CID90314319
Molecular FormulaC17H14F2N4O2S
Molecular Weight376.39 g/mol
Exact Mass376.08
IUPAC Name2-[4-(2-aminopyrimidin-5-yl)-2,3-difluorophenyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1F
InChIInChI=1S/C17H14F2N4O2S/c1-21-26(24,25)14-5-3-2-4-12(14)13-7-6-11(15(18)16(13)19)10-8-22-17(20)23-9-10/h2-9,21H,1H3,(H2,20,22,23)
InChIKeyXHSDSIRYWYYSPX-UHFFFAOYSA-N
XLogP2.58
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminopyrimidin-5-yl)-2,3-difluorophenyl]-N-methylbenzenesulfonamide?
The IUPAC name of 2-[4-(2-aminopyrimidin-5-yl)-2,3-difluorophenyl]-N-methylbenzenesulfonamide (CID 90314319) is 2-[4-(2-aminopyrimidin-5-yl)-2,3-difluorophenyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-[4-(2-aminopyrimidin-5-yl)-2,3-difluorophenyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-[4-(2-aminopyrimidin-5-yl)-2,3-difluorophenyl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1F.
What is the InChIKey of 2-[4-(2-aminopyrimidin-5-yl)-2,3-difluorophenyl]-N-methylbenzenesulfonamide?
The InChIKey is XHSDSIRYWYYSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O2S/c1-21-26(24,25)14-5-3-2-4-12(14)13-7-6-11(15(18)16(13)19)10-8-22-17(20)23-9-10/h2-9,21H,1H3,(H2,20,22,23).
What are the key properties of 2-[4-(2-aminopyrimidin-5-yl)-2,3-difluorophenyl]-N-methylbenzenesulfonamide?
2-[4-(2-aminopyrimidin-5-yl)-2,3-difluorophenyl]-N-methylbenzenesulfonamide has a molecular weight of 376.39 g/mol, XLogP of 2.58, 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)-2,3-difluorophenyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 90314319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).