(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-[(3R)-1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]pyrrolidin-3-yl]propanamide;3-(5-chloroindol-1-yl)-N-[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide;4-[3-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]benzenesulfinate;3-methyl-1,2,4-thiadiazol-5-amine;molecular hydrogen;1,3-thiazol-2-amine;4-[4-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]piperazin-1-yl]benzenesulfinate

C99H125Cl2F3N22O14S8-2 — CID 157325126

About (2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-[(3R)-1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]pyrrolidin-3-yl]propanamide;3-(5-chloroindol-1-yl)-N-[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide;4-[3-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]benzenesulfinate;3-methyl-1,2,4-thiadiazol-5-amine;molecular hydrogen;1,3-thiazol-2-amine;4-[4-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]piperazin-1-yl]benzenesulfinate

(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-[(3R)-1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]pyrrolidin-3-yl]propanamide;3-(5-chloroindol-1-yl)-N-[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide;4-[3-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]benzenesulfinate;3-methyl-1,2,4-thiadiazol-5-amine;molecular hydrogen;1,3-thiazol-2-amine;4-[4-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]piperazin-1-yl]benzenesulfinate (PubChem CID 157325126) has the molecular formula C99H125Cl2F3N22O14S8-2 and a molecular weight of 2231.66 g/mol. Its IUPAC name is (2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-[(3R)-1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]pyrrolidin-3-yl]propanamide;3-(5-chloroindol-1-yl)-N-[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide;4-[3-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]benzenesulfinate;3-methyl-1,2,4-thiadiazol-5-amine;molecular hydrogen;1,3-thiazol-2-amine;4-[4-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]piperazin-1-yl]benzenesulfinate.

Molecular Properties

• Compound Name: (2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-[(3R)-1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]pyrrolidin-3-yl]propanamide;3-(5-chloroindol-1-yl)-N-[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide;4-[3-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]benzenesulfinate;3-methyl-1,2,4-thiadiazol-5-amine;molecular hydrogen;1,3-thiazol-2-amine;4-[4-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]piperazin-1-yl]benzenesulfinate
• PubChem CID: 157325126
• Molecular Formula: C99H125Cl2F3N22O14S8-2
• Molecular Weight: 2231.66 g/mol
• Exact Mass: 2228.69
• IUPAC Name: (2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-[(3R)-1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]pyrrolidin-3-yl]propanamide;3-(5-chloroindol-1-yl)-N-[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide;4-[3-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]benzenesulfinate;3-methyl-1,2,4-thiadiazol-5-amine;molecular hydrogen;1,3-thiazol-2-amine;4-[4-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]piperazin-1-yl]benzenesulfinate
• SMILES: COc1cccc(CN2CCN(C3CCN(c4ccc(S(=O)[O-])cc4)C3=O)CC2)c1.C[C@H](C(=O)N[C@@H]1CCN(c2ccc(S(=O)(=O)Nc3ncns3)cc2)C1)N1CCCc2cc(Cl)ccc21.Cc1nsc(N)n1.Nc1nccs1.O=C(CCn1ccc2cc(Cl)ccc21)NC1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1.O=C(COc1ccnc2c(C(F)(F)F)cccc12)N1CCN(c2ccc(S(=O)[O-])cc2)CC1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C25H26ClN5O3S2.C24H27ClN6O3S2.C22H20F3N3O4S.C22H27N3O4S.C3H5N3S.C3H4N2S.9H2/c26-19-1-6-23-18(17-19)7-12-31(23)15-10-24(32)28-20-8-13-30(14-9-20)21-2-4-22(5-3-21)36(33,34)29-25-27-11-16-35-25;1-16(31-11-2-3-17-13-18(25)4-9-22(17)31)23(32)28-19-10-12-30(14-19)20-5-7-21(8-6-20)36(33,34)29-24-26-15-27-35-24;23-22(24,25)18-3-1-2-17-19(8-9-26-21(17)18)32-14-20(29)28-12-10-27(11-13-28)15-4-6-16(7-5-15)33(30)31;1-29-19-4-2-3-17(15-19)16-23-11-13-24(14-12-23)21-9-10-25(22(21)26)18-5-7-20(8-6-18)30(27)28;1-2-5-3(4)7-6-2;4-3-5-1-2-6-3;;;;;;;;;/h1-7,11-12,16-17,20H,8-10,13-15H2,(H,27,29)(H,28,32);4-9,13,15-16,19H,2-3,10-12,14H2,1H3,(H,28,32)(H,26,27,29);1-9H,10-14H2,(H,30,31);2-8,15,21H,9-14,16H2,1H3,(H,27,28);1H3,(H2,4,5,6);1-2H,(H2,4,5);9*1H/p-2/t;16-,19-;;;;;;;;;;;;;/m.1............./s1
• InChIKey: QKFZLGMQJJQPIM-DWBOKBKISA-L
• XLogP: 16.70
• TPSA: 456.52 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 34
• Rotatable Bonds: 26
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2231.66
LogP ≤ 5	16.70
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-[(3R)-1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]pyrrolidin-3-yl]propanamide;3-(5-chloroindol-1-yl)-N-[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide;4-[3-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]benzenesulfinate;3-methyl-1,2,4-thiadiazol-5-amine;molecular hydrogen;1,3-thiazol-2-amine;4-[4-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]piperazin-1-yl]benzenesulfinate?

The IUPAC name of (2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-[(3R)-1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]pyrrolidin-3-yl]propanamide;3-(5-chloroindol-1-yl)-N-[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide;4-[3-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]benzenesulfinate;3-methyl-1,2,4-thiadiazol-5-amine;molecular hydrogen;1,3-thiazol-2-amine;4-[4-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]piperazin-1-yl]benzenesulfinate (CID 157325126) is (2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-[(3R)-1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]pyrrolidin-3-yl]propanamide;3-(5-chloroindol-1-yl)-N-[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide;4-[3-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]benzenesulfinate;3-methyl-1,2,4-thiadiazol-5-amine;molecular hydrogen;1,3-thiazol-2-amine;4-[4-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]piperazin-1-yl]benzenesulfinate.

What is the SMILES notation for (2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-[(3R)-1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]pyrrolidin-3-yl]propanamide;3-(5-chloroindol-1-yl)-N-[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide;4-[3-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]benzenesulfinate;3-methyl-1,2,4-thiadiazol-5-amine;molecular hydrogen;1,3-thiazol-2-amine;4-[4-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]piperazin-1-yl]benzenesulfinate?

The canonical SMILES for (2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-[(3R)-1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]pyrrolidin-3-yl]propanamide;3-(5-chloroindol-1-yl)-N-[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide;4-[3-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]benzenesulfinate;3-methyl-1,2,4-thiadiazol-5-amine;molecular hydrogen;1,3-thiazol-2-amine;4-[4-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]piperazin-1-yl]benzenesulfinate is COc1cccc(CN2CCN(C3CCN(c4ccc(S(=O)[O-])cc4)C3=O)CC2)c1.C[C@H](C(=O)N[C@@H]1CCN(c2ccc(S(=O)(=O)Nc3ncns3)cc2)C1)N1CCCc2cc(Cl)ccc21.Cc1nsc(N)n1.Nc1nccs1.O=C(CCn1ccc2cc(Cl)ccc21)NC1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1.O=C(COc1ccnc2c(C(F)(F)F)cccc12)N1CCN(c2ccc(S(=O)[O-])cc2)CC1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of (2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-[(3R)-1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]pyrrolidin-3-yl]propanamide;3-(5-chloroindol-1-yl)-N-[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide;4-[3-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]benzenesulfinate;3-methyl-1,2,4-thiadiazol-5-amine;molecular hydrogen;1,3-thiazol-2-amine;4-[4-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]piperazin-1-yl]benzenesulfinate?

The InChIKey is QKFZLGMQJJQPIM-DWBOKBKISA-L. The full InChI is InChI=1S/C25H26ClN5O3S2.C24H27ClN6O3S2.C22H20F3N3O4S.C22H27N3O4S.C3H5N3S.C3H4N2S.9H2/c26-19-1-6-23-18(17-19)7-12-31(23)15-10-24(32)28-20-8-13-30(14-9-20)21-2-4-22(5-3-21)36(33,34)29-25-27-11-16-35-25;1-16(31-11-2-3-17-13-18(25)4-9-22(17)31)23(32)28-19-10-12-30(14-19)20-5-7-21(8-6-20)36(33,34)29-24-26-15-27-35-24;23-22(24,25)18-3-1-2-17-19(8-9-26-21(17)18)32-14-20(29)28-12-10-27(11-13-28)15-4-6-16(7-5-15)33(30)31;1-29-19-4-2-3-17(15-19)16-23-11-13-24(14-12-23)21-9-10-25(22(21)26)18-5-7-20(8-6-18)30(27)28;1-2-5-3(4)7-6-2;4-3-5-1-2-6-3;;;;;;;;;/h1-7,11-12,16-17,20H,8-10,13-15H2,(H,27,29)(H,28,32);4-9,13,15-16,19H,2-3,10-12,14H2,1H3,(H,28,32)(H,26,27,29);1-9H,10-14H2,(H,30,31);2-8,15,21H,9-14,16H2,1H3,(H,27,28);1H3,(H2,4,5,6);1-2H,(H2,4,5);9*1H/p-2/t;16-,19-;;;;;;;;;;;;;/m.1............./s1.

What are the key properties of (2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-[(3R)-1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]pyrrolidin-3-yl]propanamide;3-(5-chloroindol-1-yl)-N-[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide;4-[3-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]benzenesulfinate;3-methyl-1,2,4-thiadiazol-5-amine;molecular hydrogen;1,3-thiazol-2-amine;4-[4-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]piperazin-1-yl]benzenesulfinate?

(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-[(3R)-1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]pyrrolidin-3-yl]propanamide;3-(5-chloroindol-1-yl)-N-[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide;4-[3-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]benzenesulfinate;3-methyl-1,2,4-thiadiazol-5-amine;molecular hydrogen;1,3-thiazol-2-amine;4-[4-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]piperazin-1-yl]benzenesulfinate has a molecular weight of 2231.66 g/mol, XLogP of 16.70, 26 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-[(3R)-1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]pyrrolidin-3-yl]propanamide;3-(5-chloroindol-1-yl)-N-[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide;4-[3-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]benzenesulfinate;3-methyl-1,2,4-thiadiazol-5-amine;molecular hydrogen;1,3-thiazol-2-amine;4-[4-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]piperazin-1-yl]benzenesulfinate is sourced from PubChem (CID 157325126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).