4-[[4-(1-propylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide

C20H20N6O2S — CID 58482950

IUPAC4-[[4-(1-propylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide
SMILESCCCn1cc(-c2ccnc(Nc3ccc(S(N)(=O)=O)cc3)n2)c2ccncc21
InChIInChI=1S/C20H20N6O2S/c1-2-11-26-13-17(16-7-9-22-12-19(16)26)18-8-10-23-20(25-18)24-14-3-5-15(6-4-14)29(21,27)28/h3-10,12-13H,2,11H2,1H3,(H2,21,27,28)(H,23,24,25)
InChIKeyVITKIGQJNPAPKE-UHFFFAOYSA-N
MW408.49 g/mol
LogP3.29
Rot. Bonds6

About 4-[[4-(1-propylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide

4-[[4-(1-propylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide (PubChem CID 58482950) has the molecular formula C20H20N6O2S and a molecular weight of 408.49 g/mol. Its IUPAC name is 4-[[4-(1-propylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-(1-propylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide
PubChem CID58482950
Molecular FormulaC20H20N6O2S
Molecular Weight408.49 g/mol
Exact Mass408.14
IUPAC Name4-[[4-(1-propylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide
SMILESCCCn1cc(-c2ccnc(Nc3ccc(S(N)(=O)=O)cc3)n2)c2ccncc21
InChIInChI=1S/C20H20N6O2S/c1-2-11-26-13-17(16-7-9-22-12-19(16)26)18-8-10-23-20(25-18)24-14-3-5-15(6-4-14)29(21,27)28/h3-10,12-13H,2,11H2,1H3,(H2,21,27,28)(H,23,24,25)
InChIKeyVITKIGQJNPAPKE-UHFFFAOYSA-N
XLogP3.29
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.49
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-morpholin-4-ylphenyl)-4-(1-propylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine
CID 67445017
4-[[4-(4-propylphenyl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 11660670
4-N-[4-(1-propan-2-ylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-yl]benzene-1,4-diamine
CID 89082685
4-[[4-(2-methyl-1H-imidazol-5-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 22273547
N-(4-methylsulfanylphenyl)-4-(1-propan-2-ylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine
CID 58367892
4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 11667571
N-methyl-3-[[4-(1-propan-2-ylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 58367888
4-(1-propan-2-ylpyrrolo[2,3-c]pyridin-3-yl)-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-2-amine
CID 58367886
4-[[4-(4-cyanophenyl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 11688891
4-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzenesulfonamide
CID 25211077
N-(4-methylsulfonylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
CID 10172462
3-methyl-5-[[4-(1-propan-2-ylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-yl]amino]benzamide
CID 45279657

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(1-propylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[4-(1-propylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide (CID 58482950) is 4-[[4-(1-propylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[4-(1-propylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[4-(1-propylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide is CCCn1cc(-c2ccnc(Nc3ccc(S(N)(=O)=O)cc3)n2)c2ccncc21.
What is the InChIKey of 4-[[4-(1-propylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide?
The InChIKey is VITKIGQJNPAPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2S/c1-2-11-26-13-17(16-7-9-22-12-19(16)26)18-8-10-23-20(25-18)24-14-3-5-15(6-4-14)29(21,27)28/h3-10,12-13H,2,11H2,1H3,(H2,21,27,28)(H,23,24,25).
What are the key properties of 4-[[4-(1-propylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide?
4-[[4-(1-propylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide has a molecular weight of 408.49 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(1-propylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 58482950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).