4-[(3R)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;3-(5-chloroindol-1-yl)-N-[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]azetidin-3-yl]propanamide;4-[1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[4-(2-phenylpropanoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide

C93H101Cl3N18O13S7 — CID 160535743

IUPAC4-[(3R)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;3-(5-chloroindol-1-yl)-N-[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]azetidin-3-yl]propanamide;4-[1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[4-(2-phenylpropanoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide
SMILESCC(C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1)c1ccccc1.Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1.O=C(CCn1ccc2cc(Cl)ccc21)NC1CN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1.O=C1[C@H](N2CCCc3cc(Cl)ccc32)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C25H23ClN4O4S2.C23H22ClN5O3S2.C23H25N5O3S.C22H21ClN4O3S2.5H2/c1-16-22(23(28-34-16)20-4-2-3-5-21(20)26)24(31)30-13-10-18(11-14-30)17-6-8-19(9-7-17)36(32,33)29-25-27-12-15-35-25;24-17-1-6-21-16(13-17)7-10-28(21)11-8-22(30)26-18-14-29(15-18)19-2-4-20(5-3-19)34(31,32)27-23-25-9-12-33-23;1-18(19-5-3-2-4-6-19)23(29)28-15-13-27(14-16-28)20-7-9-21(10-8-20)32(30,31)26-22-11-12-24-17-25-22;23-16-3-8-19-15(14-16)2-1-11-27(19)20-9-12-26(21(20)28)17-4-6-18(7-5-17)32(29,30)25-22-24-10-13-31-22;;;;;/h2-9,12,15,18H,10-11,13-14H2,1H3,(H,27,29);1-7,9-10,12-13,18H,8,11,14-15H2,(H,25,27)(H,26,30);2-12,17-18H,13-16H2,1H3,(H,24,25,26);3-8,10,13-14,20H,1-2,9,11-12H2,(H,24,25);5*1H/t;;;20-;;;;;/m...1...../s1
InChIKeyQWDAMYVEROFXBV-AEHJLBJGSA-N
MW2009.77 g/mol
LogP17.64
Rot. Bonds25

About 4-[(3R)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;3-(5-chloroindol-1-yl)-N-[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]azetidin-3-yl]propanamide;4-[1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[4-(2-phenylpropanoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide

4-[(3R)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;3-(5-chloroindol-1-yl)-N-[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]azetidin-3-yl]propanamide;4-[1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[4-(2-phenylpropanoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide (PubChem CID 160535743) has the molecular formula C93H101Cl3N18O13S7 and a molecular weight of 2009.77 g/mol. Its IUPAC name is 4-[(3R)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;3-(5-chloroindol-1-yl)-N-[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]azetidin-3-yl]propanamide;4-[1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[4-(2-phenylpropanoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(3R)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;3-(5-chloroindol-1-yl)-N-[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]azetidin-3-yl]propanamide;4-[1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[4-(2-phenylpropanoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide
PubChem CID160535743
Molecular FormulaC93H101Cl3N18O13S7
Molecular Weight2009.77 g/mol
Exact Mass2006.49
IUPAC Name4-[(3R)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;3-(5-chloroindol-1-yl)-N-[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]azetidin-3-yl]propanamide;4-[1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[4-(2-phenylpropanoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide
SMILESCC(C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1)c1ccccc1.Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1.O=C(CCn1ccc2cc(Cl)ccc21)NC1CN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1.O=C1[C@H](N2CCCc3cc(Cl)ccc32)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C25H23ClN4O4S2.C23H22ClN5O3S2.C23H25N5O3S.C22H21ClN4O3S2.5H2/c1-16-22(23(28-34-16)20-4-2-3-5-21(20)26)24(31)30-13-10-18(11-14-30)17-6-8-19(9-7-17)36(32,33)29-25-27-12-15-35-25;24-17-1-6-21-16(13-17)7-10-28(21)11-8-22(30)26-18-14-29(15-18)19-2-4-20(5-3-19)34(31,32)27-23-25-9-12-33-23;1-18(19-5-3-2-4-6-19)23(29)28-15-13-27(14-16-28)20-7-9-21(10-8-20)32(30,31)26-22-11-12-24-17-25-22;23-16-3-8-19-15(14-16)2-1-11-27(19)20-9-12-26(21(20)28)17-4-6-18(7-5-17)32(29,30)25-22-24-10-13-31-22;;;;;/h2-9,12,15,18H,10-11,13-14H2,1H3,(H,27,29);1-7,9-10,12-13,18H,8,11,14-15H2,(H,25,27)(H,26,30);2-12,17-18H,13-16H2,1H3,(H,24,25,26);3-8,10,13-14,20H,1-2,9,11-12H2,(H,24,25);5*1H/t;;;20-;;;;;/m...1...../s1
InChIKeyQWDAMYVEROFXBV-AEHJLBJGSA-N
XLogP17.64
TPSA379.84 Ų
H-Bond Donors5
H-Bond Acceptors26
Rotatable Bonds25
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002009.77
LogP ≤ 517.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1026

Analyze 4-[(3R)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;3-(5-chloroindol-1-yl)-N-[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]azetidin-3-yl]propanamide;4-[1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[4-(2-phenylpropanoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;3-(5-chloroindol-1-yl)-N-[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]azetidin-3-yl]propanamide;4-[1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[4-(2-phenylpropanoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide?
The IUPAC name of 4-[(3R)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;3-(5-chloroindol-1-yl)-N-[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]azetidin-3-yl]propanamide;4-[1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[4-(2-phenylpropanoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide (CID 160535743) is 4-[(3R)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;3-(5-chloroindol-1-yl)-N-[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]azetidin-3-yl]propanamide;4-[1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[4-(2-phenylpropanoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide.
What is the SMILES notation for 4-[(3R)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;3-(5-chloroindol-1-yl)-N-[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]azetidin-3-yl]propanamide;4-[1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[4-(2-phenylpropanoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide?
The canonical SMILES for 4-[(3R)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;3-(5-chloroindol-1-yl)-N-[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]azetidin-3-yl]propanamide;4-[1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[4-(2-phenylpropanoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide is CC(C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1)c1ccccc1.Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1.O=C(CCn1ccc2cc(Cl)ccc21)NC1CN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1.O=C1[C@H](N2CCCc3cc(Cl)ccc32)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 4-[(3R)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;3-(5-chloroindol-1-yl)-N-[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]azetidin-3-yl]propanamide;4-[1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[4-(2-phenylpropanoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide?
The InChIKey is QWDAMYVEROFXBV-AEHJLBJGSA-N. The full InChI is InChI=1S/C25H23ClN4O4S2.C23H22ClN5O3S2.C23H25N5O3S.C22H21ClN4O3S2.5H2/c1-16-22(23(28-34-16)20-4-2-3-5-21(20)26)24(31)30-13-10-18(11-14-30)17-6-8-19(9-7-17)36(32,33)29-25-27-12-15-35-25;24-17-1-6-21-16(13-17)7-10-28(21)11-8-22(30)26-18-14-29(15-18)19-2-4-20(5-3-19)34(31,32)27-23-25-9-12-33-23;1-18(19-5-3-2-4-6-19)23(29)28-15-13-27(14-16-28)20-7-9-21(10-8-20)32(30,31)26-22-11-12-24-17-25-22;23-16-3-8-19-15(14-16)2-1-11-27(19)20-9-12-26(21(20)28)17-4-6-18(7-5-17)32(29,30)25-22-24-10-13-31-22;;;;;/h2-9,12,15,18H,10-11,13-14H2,1H3,(H,27,29);1-7,9-10,12-13,18H,8,11,14-15H2,(H,25,27)(H,26,30);2-12,17-18H,13-16H2,1H3,(H,24,25,26);3-8,10,13-14,20H,1-2,9,11-12H2,(H,24,25);5*1H/t;;;20-;;;;;/m...1...../s1.
What are the key properties of 4-[(3R)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;3-(5-chloroindol-1-yl)-N-[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]azetidin-3-yl]propanamide;4-[1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[4-(2-phenylpropanoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide?
4-[(3R)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;3-(5-chloroindol-1-yl)-N-[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]azetidin-3-yl]propanamide;4-[1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[4-(2-phenylpropanoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide has a molecular weight of 2009.77 g/mol, XLogP of 17.64, 25 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;3-(5-chloroindol-1-yl)-N-[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]azetidin-3-yl]propanamide;4-[1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[4-(2-phenylpropanoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide is sourced from PubChem (CID 160535743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).