2,6-difluoro-N-[4-[[6-(1H-indol-5-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide

C24H17F2N5O2S — CID 69136465

IUPAC2,6-difluoro-N-[4-[[6-(1H-indol-5-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Nc2cc(-c3ccc4[nH]ccc4c3)ncn2)cc1)c1c(F)cccc1F
InChIInChI=1S/C24H17F2N5O2S/c25-19-2-1-3-20(26)24(19)34(32,33)31-18-7-5-17(6-8-18)30-23-13-22(28-14-29-23)15-4-9-21-16(12-15)10-11-27-21/h1-14,27,31H,(H,28,29,30)
InChIKeyHSNUWGXSXXKJEV-UHFFFAOYSA-N
MW477.50 g/mol
LogP5.45
Rot. Bonds6

About 2,6-difluoro-N-[4-[[6-(1H-indol-5-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide

2,6-difluoro-N-[4-[[6-(1H-indol-5-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide (PubChem CID 69136465) has the molecular formula C24H17F2N5O2S and a molecular weight of 477.50 g/mol. Its IUPAC name is 2,6-difluoro-N-[4-[[6-(1H-indol-5-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-[4-[[6-(1H-indol-5-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
PubChem CID69136465
Molecular FormulaC24H17F2N5O2S
Molecular Weight477.50 g/mol
Exact Mass477.11
IUPAC Name2,6-difluoro-N-[4-[[6-(1H-indol-5-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Nc2cc(-c3ccc4[nH]ccc4c3)ncn2)cc1)c1c(F)cccc1F
InChIInChI=1S/C24H17F2N5O2S/c25-19-2-1-3-20(26)24(19)34(32,33)31-18-7-5-17(6-8-18)30-23-13-22(28-14-29-23)15-4-9-21-16(12-15)10-11-27-21/h1-14,27,31H,(H,28,29,30)
InChIKeyHSNUWGXSXXKJEV-UHFFFAOYSA-N
XLogP5.45
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.50
LogP ≤ 55.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[4-[[6-(1H-indol-5-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-[4-[[6-(1H-indol-5-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide (CID 69136465) is 2,6-difluoro-N-[4-[[6-(1H-indol-5-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-[4-[[6-(1H-indol-5-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-[4-[[6-(1H-indol-5-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(Nc2cc(-c3ccc4[nH]ccc4c3)ncn2)cc1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[4-[[6-(1H-indol-5-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide?
The InChIKey is HSNUWGXSXXKJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2N5O2S/c25-19-2-1-3-20(26)24(19)34(32,33)31-18-7-5-17(6-8-18)30-23-13-22(28-14-29-23)15-4-9-21-16(12-15)10-11-27-21/h1-14,27,31H,(H,28,29,30).
What are the key properties of 2,6-difluoro-N-[4-[[6-(1H-indol-5-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide?
2,6-difluoro-N-[4-[[6-(1H-indol-5-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide has a molecular weight of 477.50 g/mol, XLogP of 5.45, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[4-[[6-(1H-indol-5-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide is sourced from PubChem (CID 69136465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).