4-[[4-(1H-indazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzenesulfonamide

C19H16N8O2S — CID 25195908

IUPAC4-[[4-(1H-indazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nc(Nc3ccc4cn[nH]c4c3)c3cc[nH]c3n2)cc1
InChIInChI=1S/C19H16N8O2S/c20-30(28,29)14-5-3-12(4-6-14)24-19-25-17-15(7-8-21-17)18(26-19)23-13-2-1-11-10-22-27-16(11)9-13/h1-10H,(H,22,27)(H2,20,28,29)(H3,21,23,24,25,26)
InChIKeyKAPNWHLVKPUNRP-UHFFFAOYSA-N
MW420.46 g/mol
LogP2.97
Rot. Bonds5

About 4-[[4-(1H-indazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzenesulfonamide

4-[[4-(1H-indazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzenesulfonamide (PubChem CID 25195908) has the molecular formula C19H16N8O2S and a molecular weight of 420.46 g/mol. Its IUPAC name is 4-[[4-(1H-indazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-(1H-indazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzenesulfonamide
PubChem CID25195908
Molecular FormulaC19H16N8O2S
Molecular Weight420.46 g/mol
Exact Mass420.11
IUPAC Name4-[[4-(1H-indazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nc(Nc3ccc4cn[nH]c4c3)c3cc[nH]c3n2)cc1
InChIInChI=1S/C19H16N8O2S/c20-30(28,29)14-5-3-12(4-6-14)24-19-25-17-15(7-8-21-17)18(26-19)23-13-2-1-11-10-22-27-16(11)9-13/h1-10H,(H,22,27)(H2,20,28,29)(H3,21,23,24,25,26)
InChIKeyKAPNWHLVKPUNRP-UHFFFAOYSA-N
XLogP2.97
TPSA154.47 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.46
LogP ≤ 52.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 4-[[4-(1H-indazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzenesulfonamide with MolForge

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Related Compounds

4-N-(1,3-benzothiazol-5-yl)-2-N-(1H-indazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 25196116
4-[[7-(1H-indazol-6-yl)quinazolin-2-yl]amino]benzenesulfonamide
CID 67101530
2-[[2-[2-(1H-indazol-6-yl)hydrazinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol
CID 91219468
2-[2-(1H-indazol-6-yl)hydrazinyl]-N-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 90994686
N-(1H-indazol-6-yl)sulfamoyl chloride
CID 84760699
3-[[2-(3-sulfamoylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 59240693
2-N-(4-methylsulfonylphenyl)-4-N-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 71201225
1-[4-[4-[[4-(1H-indazol-6-ylamino)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanone
CID 68579494
azane;4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(1H-indazol-6-yl)benzenesulfonamide;molecular hydrogen;hydrate;hydrochloride
CID 158873294
1H-indazole-5-sulfonamide
CID 22567171
1H-indazole-6-sulfonyl fluoride
CID 71925828
4-N-(1H-indazol-6-yl)-6-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 156704692

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(1H-indazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[4-(1H-indazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzenesulfonamide (CID 25195908) is 4-[[4-(1H-indazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[4-(1H-indazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[4-(1H-indazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzenesulfonamide is NS(=O)(=O)c1ccc(Nc2nc(Nc3ccc4cn[nH]c4c3)c3cc[nH]c3n2)cc1.
What is the InChIKey of 4-[[4-(1H-indazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzenesulfonamide?
The InChIKey is KAPNWHLVKPUNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N8O2S/c20-30(28,29)14-5-3-12(4-6-14)24-19-25-17-15(7-8-21-17)18(26-19)23-13-2-1-11-10-22-27-16(11)9-13/h1-10H,(H,22,27)(H2,20,28,29)(H3,21,23,24,25,26).
What are the key properties of 4-[[4-(1H-indazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzenesulfonamide?
4-[[4-(1H-indazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzenesulfonamide has a molecular weight of 420.46 g/mol, XLogP of 2.97, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(1H-indazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 25195908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).