4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-(4-aminophenyl)sulfonylacetamide;4-chloro-5-methyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-6-ide;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;ethane;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfonyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;methane;5-methyl-4-piperidin-1-yl-6,7-dihydropyrrolo[2,3-d]pyrimidin-6-ide;1-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)phenyl]sulfonylpropan-2-one;bis(yttrium)

C78H86Cl2N26O10S6Y2-2 — CID 160657944

About 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-(4-aminophenyl)sulfonylacetamide;4-chloro-5-methyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-6-ide;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;ethane;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfonyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;methane;5-methyl-4-piperidin-1-yl-6,7-dihydropyrrolo[2,3-d]pyrimidin-6-ide;1-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)phenyl]sulfonylpropan-2-one;bis(yttrium)

4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-(4-aminophenyl)sulfonylacetamide;4-chloro-5-methyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-6-ide;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;ethane;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfonyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;methane;5-methyl-4-piperidin-1-yl-6,7-dihydropyrrolo[2,3-d]pyrimidin-6-ide;1-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)phenyl]sulfonylpropan-2-one;bis(yttrium) (PubChem CID 160657944) has the molecular formula C78H86Cl2N26O10S6Y2-2 and a molecular weight of 1988.84 g/mol. Its IUPAC name is 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-(4-aminophenyl)sulfonylacetamide;4-chloro-5-methyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-6-ide;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;ethane;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfonyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;methane;5-methyl-4-piperidin-1-yl-6,7-dihydropyrrolo[2,3-d]pyrimidin-6-ide;1-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)phenyl]sulfonylpropan-2-one;bis(yttrium).

Molecular Properties

• Compound Name: 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-(4-aminophenyl)sulfonylacetamide;4-chloro-5-methyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-6-ide;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;ethane;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfonyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;methane;5-methyl-4-piperidin-1-yl-6,7-dihydropyrrolo[2,3-d]pyrimidin-6-ide;1-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)phenyl]sulfonylpropan-2-one;bis(yttrium)
• PubChem CID: 160657944
• Molecular Formula: C78H86Cl2N26O10S6Y2-2
• Molecular Weight: 1988.84 g/mol
• Exact Mass: 1986.28
• IUPAC Name: 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-(4-aminophenyl)sulfonylacetamide;4-chloro-5-methyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-6-ide;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;ethane;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfonyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;methane;5-methyl-4-piperidin-1-yl-6,7-dihydropyrrolo[2,3-d]pyrimidin-6-ide;1-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)phenyl]sulfonylpropan-2-one;bis(yttrium)
• SMILES: C.CC.CC(=O)CS(=O)(=O)c1ccc(Nc2ncnc3[nH]ccc23)cc1.CC(=O)NS(=O)(=O)c1ccc(N)cc1.CCc1nnc(CS(=O)(=O)c2ccc(Nc3ncnc4[nH]ccc34)cc2)s1.CCc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1.Cc1[c-][nH]c2ncnc(Cl)c12.Cc1[c-][nH]c2ncnc(N3CCCCC3)c12.Clc1ncnc2[nH]ccc12.[Y].[Y]
• InChI: InChI=1S/C17H16N6O2S2.C15H14N4O3S.C12H15N4.C10H12N4O2S2.C8H10N2O3S.C7H5ClN3.C6H4ClN3.C2H6.CH4.2Y/c1-2-14-22-23-15(26-14)9-27(24,25)12-5-3-11(4-6-12)21-17-13-7-8-18-16(13)19-10-20-17;1-10(20)8-23(21,22)12-4-2-11(3-5-12)19-15-13-6-7-16-14(13)17-9-18-15;1-9-7-13-11-10(9)12(15-8-14-11)16-5-3-2-4-6-16;1-2-9-12-13-10(17-9)14-18(15,16)8-5-3-7(11)4-6-8;1-6(11)10-14(12,13)8-4-2-7(9)3-5-8;1-4-2-9-7-5(4)6(8)10-3-11-7;7-5-4-1-2-8-6(4)10-3-9-5;1-2;;;/h3-8,10H,2,9H2,1H3,(H2,18,19,20,21);2-7,9H,8H2,1H3,(H2,16,17,18,19);8H,2-6H2,1H3,(H,13,14,15);3-6H,2,11H2,1H3,(H,13,14);2-5H,9H2,1H3,(H,10,11);3H,1H3,(H,9,10,11);1-3H,(H,8,9,10);1-2H3;1H4;;/q;;-1;;;-1
• InChIKey: YCCXXYLLSLHWFM-UHFFFAOYSA-N
• XLogP: 13.78
• TPSA: 533.51 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 31
• Rotatable Bonds: 18
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1988.84
LogP ≤ 5	13.78
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-(4-aminophenyl)sulfonylacetamide;4-chloro-5-methyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-6-ide;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;ethane;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfonyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;methane;5-methyl-4-piperidin-1-yl-6,7-dihydropyrrolo[2,3-d]pyrimidin-6-ide;1-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)phenyl]sulfonylpropan-2-one;bis(yttrium)?

The IUPAC name of 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-(4-aminophenyl)sulfonylacetamide;4-chloro-5-methyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-6-ide;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;ethane;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfonyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;methane;5-methyl-4-piperidin-1-yl-6,7-dihydropyrrolo[2,3-d]pyrimidin-6-ide;1-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)phenyl]sulfonylpropan-2-one;bis(yttrium) (CID 160657944) is 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-(4-aminophenyl)sulfonylacetamide;4-chloro-5-methyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-6-ide;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;ethane;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfonyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;methane;5-methyl-4-piperidin-1-yl-6,7-dihydropyrrolo[2,3-d]pyrimidin-6-ide;1-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)phenyl]sulfonylpropan-2-one;bis(yttrium).

What is the SMILES notation for 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-(4-aminophenyl)sulfonylacetamide;4-chloro-5-methyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-6-ide;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;ethane;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfonyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;methane;5-methyl-4-piperidin-1-yl-6,7-dihydropyrrolo[2,3-d]pyrimidin-6-ide;1-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)phenyl]sulfonylpropan-2-one;bis(yttrium)?

The canonical SMILES for 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-(4-aminophenyl)sulfonylacetamide;4-chloro-5-methyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-6-ide;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;ethane;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfonyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;methane;5-methyl-4-piperidin-1-yl-6,7-dihydropyrrolo[2,3-d]pyrimidin-6-ide;1-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)phenyl]sulfonylpropan-2-one;bis(yttrium) is C.CC.CC(=O)CS(=O)(=O)c1ccc(Nc2ncnc3[nH]ccc23)cc1.CC(=O)NS(=O)(=O)c1ccc(N)cc1.CCc1nnc(CS(=O)(=O)c2ccc(Nc3ncnc4[nH]ccc34)cc2)s1.CCc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1.Cc1[c-][nH]c2ncnc(Cl)c12.Cc1[c-][nH]c2ncnc(N3CCCCC3)c12.Clc1ncnc2[nH]ccc12.[Y].[Y].

What is the InChIKey of 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-(4-aminophenyl)sulfonylacetamide;4-chloro-5-methyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-6-ide;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;ethane;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfonyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;methane;5-methyl-4-piperidin-1-yl-6,7-dihydropyrrolo[2,3-d]pyrimidin-6-ide;1-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)phenyl]sulfonylpropan-2-one;bis(yttrium)?

The InChIKey is YCCXXYLLSLHWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2S2.C15H14N4O3S.C12H15N4.C10H12N4O2S2.C8H10N2O3S.C7H5ClN3.C6H4ClN3.C2H6.CH4.2Y/c1-2-14-22-23-15(26-14)9-27(24,25)12-5-3-11(4-6-12)21-17-13-7-8-18-16(13)19-10-20-17;1-10(20)8-23(21,22)12-4-2-11(3-5-12)19-15-13-6-7-16-14(13)17-9-18-15;1-9-7-13-11-10(9)12(15-8-14-11)16-5-3-2-4-6-16;1-2-9-12-13-10(17-9)14-18(15,16)8-5-3-7(11)4-6-8;1-6(11)10-14(12,13)8-4-2-7(9)3-5-8;1-4-2-9-7-5(4)6(8)10-3-11-7;7-5-4-1-2-8-6(4)10-3-9-5;1-2;;;/h3-8,10H,2,9H2,1H3,(H2,18,19,20,21);2-7,9H,8H2,1H3,(H2,16,17,18,19);8H,2-6H2,1H3,(H,13,14,15);3-6H,2,11H2,1H3,(H,13,14);2-5H,9H2,1H3,(H,10,11);3H,1H3,(H,9,10,11);1-3H,(H,8,9,10);1-2H3;1H4;;/q;;-1;;;-1;;;;;.

What are the key properties of 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-(4-aminophenyl)sulfonylacetamide;4-chloro-5-methyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-6-ide;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;ethane;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfonyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;methane;5-methyl-4-piperidin-1-yl-6,7-dihydropyrrolo[2,3-d]pyrimidin-6-ide;1-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)phenyl]sulfonylpropan-2-one;bis(yttrium)?

4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-(4-aminophenyl)sulfonylacetamide;4-chloro-5-methyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-6-ide;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;ethane;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfonyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;methane;5-methyl-4-piperidin-1-yl-6,7-dihydropyrrolo[2,3-d]pyrimidin-6-ide;1-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)phenyl]sulfonylpropan-2-one;bis(yttrium) has a molecular weight of 1988.84 g/mol, XLogP of 13.78, 18 rotatable bonds, 11 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-(4-aminophenyl)sulfonylacetamide;4-chloro-5-methyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-6-ide;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;ethane;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfonyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;methane;5-methyl-4-piperidin-1-yl-6,7-dihydropyrrolo[2,3-d]pyrimidin-6-ide;1-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)phenyl]sulfonylpropan-2-one;bis(yttrium) is sourced from PubChem (CID 160657944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).