4-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3S)-3-(6-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-fluoroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;3-[4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen

C88H92ClF3N18O12S7 — CID 159143148

IUPAC4-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3S)-3-(6-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-fluoroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;3-[4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
SMILESC[C@@H](C(=O)N1CCN(c2cccc(S(=O)(=O)Nc3nccs3)c2)CC1)n1ccc2c(F)cccc21.O=C(Cc1ccc(Cl)cc1)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.O=C1[C@@H](N2CCc3ccc(F)cc32)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.O=C1[C@@H](n2ccc3c(F)cccc32)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C24H24FN5O3S2.C22H22ClN5O3S.C21H19FN4O3S2.C21H17FN4O3S2.5H2/c1-17(30-10-8-20-21(25)6-3-7-22(20)30)23(31)29-13-11-28(12-14-29)18-4-2-5-19(16-18)35(32,33)27-24-26-9-15-34-24;23-18-3-1-17(2-4-18)15-22(29)28-13-11-27(12-14-28)19-5-7-20(8-6-19)32(30,31)26-21-9-10-24-16-25-21;22-15-2-1-14-7-10-26(19(14)13-15)18-8-11-25(20(18)27)16-3-5-17(6-4-16)31(28,29)24-21-23-9-12-30-21;22-17-2-1-3-18-16(17)8-11-26(18)19-9-12-25(20(19)27)14-4-6-15(7-5-14)31(28,29)24-21-23-10-13-30-21;;;;;/h2-10,15-17H,11-14H2,1H3,(H,26,27);1-10,16H,11-15H2,(H,24,25,26);1-6,9,12-13,18H,7-8,10-11H2,(H,23,24);1-8,10-11,13,19H,9,12H2,(H,23,24);5*1H/t17-;;18-;19-;;;;;/m0.00...../s1
InChIKeyKIINGWHSEFFIQM-OHKFEXQYSA-N
MW1910.73 g/mol
LogP15.27
Rot. Bonds22

About 4-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3S)-3-(6-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-fluoroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;3-[4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen

4-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3S)-3-(6-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-fluoroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;3-[4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen (PubChem CID 159143148) has the molecular formula C88H92ClF3N18O12S7 and a molecular weight of 1910.73 g/mol. Its IUPAC name is 4-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3S)-3-(6-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-fluoroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;3-[4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen.

Molecular Properties

Compound Name4-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3S)-3-(6-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-fluoroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;3-[4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
PubChem CID159143148
Molecular FormulaC88H92ClF3N18O12S7
Molecular Weight1910.73 g/mol
Exact Mass1908.48
IUPAC Name4-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3S)-3-(6-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-fluoroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;3-[4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
SMILESC[C@@H](C(=O)N1CCN(c2cccc(S(=O)(=O)Nc3nccs3)c2)CC1)n1ccc2c(F)cccc21.O=C(Cc1ccc(Cl)cc1)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.O=C1[C@@H](N2CCc3ccc(F)cc32)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.O=C1[C@@H](n2ccc3c(F)cccc32)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C24H24FN5O3S2.C22H22ClN5O3S.C21H19FN4O3S2.C21H17FN4O3S2.5H2/c1-17(30-10-8-20-21(25)6-3-7-22(20)30)23(31)29-13-11-28(12-14-29)18-4-2-5-19(16-18)35(32,33)27-24-26-9-15-34-24;23-18-3-1-17(2-4-18)15-22(29)28-13-11-27(12-14-28)19-5-7-20(8-6-19)32(30,31)26-21-9-10-24-16-25-21;22-15-2-1-14-7-10-26(19(14)13-15)18-8-11-25(20(18)27)16-3-5-17(6-4-16)31(28,29)24-21-23-9-12-30-21;22-17-2-1-3-18-16(17)8-11-26(18)19-9-12-25(20(19)27)14-4-6-15(7-5-14)31(28,29)24-21-23-10-13-30-21;;;;;/h2-10,15-17H,11-14H2,1H3,(H,26,27);1-10,16H,11-15H2,(H,24,25,26);1-6,9,12-13,18H,7-8,10-11H2,(H,23,24);1-8,10-11,13,19H,9,12H2,(H,23,24);5*1H/t17-;;18-;19-;;;;;/m0.00...../s1
InChIKeyKIINGWHSEFFIQM-OHKFEXQYSA-N
XLogP15.27
TPSA349.95 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds22
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001910.73
LogP ≤ 515.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

Analyze 4-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3S)-3-(6-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-fluoroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;3-[4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3S)-3-(6-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-fluoroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;3-[4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?
The IUPAC name of 4-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3S)-3-(6-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-fluoroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;3-[4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen (CID 159143148) is 4-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3S)-3-(6-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-fluoroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;3-[4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen.
What is the SMILES notation for 4-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3S)-3-(6-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-fluoroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;3-[4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?
The canonical SMILES for 4-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3S)-3-(6-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-fluoroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;3-[4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen is C[C@@H](C(=O)N1CCN(c2cccc(S(=O)(=O)Nc3nccs3)c2)CC1)n1ccc2c(F)cccc21.O=C(Cc1ccc(Cl)cc1)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.O=C1[C@@H](N2CCc3ccc(F)cc32)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.O=C1[C@@H](n2ccc3c(F)cccc32)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 4-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3S)-3-(6-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-fluoroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;3-[4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?
The InChIKey is KIINGWHSEFFIQM-OHKFEXQYSA-N. The full InChI is InChI=1S/C24H24FN5O3S2.C22H22ClN5O3S.C21H19FN4O3S2.C21H17FN4O3S2.5H2/c1-17(30-10-8-20-21(25)6-3-7-22(20)30)23(31)29-13-11-28(12-14-29)18-4-2-5-19(16-18)35(32,33)27-24-26-9-15-34-24;23-18-3-1-17(2-4-18)15-22(29)28-13-11-27(12-14-28)19-5-7-20(8-6-19)32(30,31)26-21-9-10-24-16-25-21;22-15-2-1-14-7-10-26(19(14)13-15)18-8-11-25(20(18)27)16-3-5-17(6-4-16)31(28,29)24-21-23-9-12-30-21;22-17-2-1-3-18-16(17)8-11-26(18)19-9-12-25(20(19)27)14-4-6-15(7-5-14)31(28,29)24-21-23-10-13-30-21;;;;;/h2-10,15-17H,11-14H2,1H3,(H,26,27);1-10,16H,11-15H2,(H,24,25,26);1-6,9,12-13,18H,7-8,10-11H2,(H,23,24);1-8,10-11,13,19H,9,12H2,(H,23,24);5*1H/t17-;;18-;19-;;;;;/m0.00...../s1.
What are the key properties of 4-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3S)-3-(6-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-fluoroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;3-[4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?
4-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3S)-3-(6-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-fluoroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;3-[4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen has a molecular weight of 1910.73 g/mol, XLogP of 15.27, 22 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3S)-3-(6-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-fluoroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;3-[4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 159143148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).