4-[4-[3-(2-chlorophenyl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]-3-(hydroxymethyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5-methoxy-2-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen

C100H116Cl3FN20O15S6 — CID 159340622

IUPAC4-[4-[3-(2-chlorophenyl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]-3-(hydroxymethyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5-methoxy-2-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen
SMILESCOc1ccc2c(c1)cc(C)n2C(C)C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.C[C@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C[C@H]1CO)n1ccc2c(F)cccc21.Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCC(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1.O=C(CCc1ccccc1Cl)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C27H30N6O4S.C25H22Cl2N4O4S2.C25H26FN5O4S2.C23H24ClN5O3S.7H2/c1-19-16-21-17-23(37-3)6-9-25(21)33(19)20(2)27(34)32-14-12-31(13-15-32)22-4-7-24(8-5-22)38(35,36)30-26-10-11-28-18-29-26;1-15-21(23(29-35-15)22-19(26)3-2-4-20(22)27)24(32)31-12-9-17(10-13-31)16-5-7-18(8-6-16)37(33,34)30-25-28-11-14-36-25;1-17(30-11-9-21-22(26)3-2-4-23(21)30)24(33)31-13-12-29(15-19(31)16-32)18-5-7-20(8-6-18)37(34,35)28-25-27-10-14-36-25;24-21-4-2-1-3-18(21)5-10-23(30)29-15-13-28(14-16-29)19-6-8-20(9-7-19)33(31,32)27-22-11-12-25-17-26-22;;;;;;;/h4-11,16-18,20H,12-15H2,1-3H3,(H,28,29,30);2-8,11,14,17H,9-10,12-13H2,1H3,(H,28,30);2-11,14,17,19,32H,12-13,15-16H2,1H3,(H,27,28);1-4,6-9,11-12,17H,5,10,13-16H2,(H,25,26,27);7*1H/t;;17-,19+;;;;;;;;/m..1......../s1
InChIKeyLGCBLHFBHXRQCM-NBKAKXFJSA-N
MW2155.91 g/mol
LogP17.94
Rot. Bonds27

About 4-[4-[3-(2-chlorophenyl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]-3-(hydroxymethyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5-methoxy-2-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen

4-[4-[3-(2-chlorophenyl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]-3-(hydroxymethyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5-methoxy-2-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen (PubChem CID 159340622) has the molecular formula C100H116Cl3FN20O15S6 and a molecular weight of 2155.91 g/mol. Its IUPAC name is 4-[4-[3-(2-chlorophenyl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]-3-(hydroxymethyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5-methoxy-2-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen.

Molecular Properties

Compound Name4-[4-[3-(2-chlorophenyl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]-3-(hydroxymethyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5-methoxy-2-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen
PubChem CID159340622
Molecular FormulaC100H116Cl3FN20O15S6
Molecular Weight2155.91 g/mol
Exact Mass2152.63
IUPAC Name4-[4-[3-(2-chlorophenyl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]-3-(hydroxymethyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5-methoxy-2-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen
SMILESCOc1ccc2c(c1)cc(C)n2C(C)C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.C[C@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C[C@H]1CO)n1ccc2c(F)cccc21.Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCC(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1.O=C(CCc1ccccc1Cl)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C27H30N6O4S.C25H22Cl2N4O4S2.C25H26FN5O4S2.C23H24ClN5O3S.7H2/c1-19-16-21-17-23(37-3)6-9-25(21)33(19)20(2)27(34)32-14-12-31(13-15-32)22-4-7-24(8-5-22)38(35,36)30-26-10-11-28-18-29-26;1-15-21(23(29-35-15)22-19(26)3-2-4-20(22)27)24(32)31-12-9-17(10-13-31)16-5-7-18(8-6-16)37(33,34)30-25-28-11-14-36-25;1-17(30-11-9-21-22(26)3-2-4-23(21)30)24(33)31-13-12-29(15-19(31)16-32)18-5-7-20(8-6-18)37(34,35)28-25-27-10-14-36-25;24-21-4-2-1-3-18(21)5-10-23(30)29-15-13-28(14-16-29)19-6-8-20(9-7-19)33(31,32)27-22-11-12-25-17-26-22;;;;;;;/h4-11,16-18,20H,12-15H2,1-3H3,(H,28,29,30);2-8,11,14,17H,9-10,12-13H2,1H3,(H,28,30);2-11,14,17,19,32H,12-13,15-16H2,1H3,(H,27,28);1-4,6-9,11-12,17H,5,10,13-16H2,(H,25,26,27);7*1H/t;;17-,19+;;;;;;;;/m..1......../s1
InChIKeyLGCBLHFBHXRQCM-NBKAKXFJSA-N
XLogP17.94
TPSA418.33 Ų
H-Bond Donors5
H-Bond Acceptors29
Rotatable Bonds27
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002155.91
LogP ≤ 517.94
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1029

Analyze 4-[4-[3-(2-chlorophenyl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]-3-(hydroxymethyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5-methoxy-2-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(2-chlorophenyl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]-3-(hydroxymethyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5-methoxy-2-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen?
The IUPAC name of 4-[4-[3-(2-chlorophenyl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]-3-(hydroxymethyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5-methoxy-2-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen (CID 159340622) is 4-[4-[3-(2-chlorophenyl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]-3-(hydroxymethyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5-methoxy-2-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen.
What is the SMILES notation for 4-[4-[3-(2-chlorophenyl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]-3-(hydroxymethyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5-methoxy-2-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen?
The canonical SMILES for 4-[4-[3-(2-chlorophenyl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]-3-(hydroxymethyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5-methoxy-2-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen is COc1ccc2c(c1)cc(C)n2C(C)C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.C[C@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C[C@H]1CO)n1ccc2c(F)cccc21.Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCC(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1.O=C(CCc1ccccc1Cl)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 4-[4-[3-(2-chlorophenyl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]-3-(hydroxymethyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5-methoxy-2-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen?
The InChIKey is LGCBLHFBHXRQCM-NBKAKXFJSA-N. The full InChI is InChI=1S/C27H30N6O4S.C25H22Cl2N4O4S2.C25H26FN5O4S2.C23H24ClN5O3S.7H2/c1-19-16-21-17-23(37-3)6-9-25(21)33(19)20(2)27(34)32-14-12-31(13-15-32)22-4-7-24(8-5-22)38(35,36)30-26-10-11-28-18-29-26;1-15-21(23(29-35-15)22-19(26)3-2-4-20(22)27)24(32)31-12-9-17(10-13-31)16-5-7-18(8-6-16)37(33,34)30-25-28-11-14-36-25;1-17(30-11-9-21-22(26)3-2-4-23(21)30)24(33)31-13-12-29(15-19(31)16-32)18-5-7-20(8-6-18)37(34,35)28-25-27-10-14-36-25;24-21-4-2-1-3-18(21)5-10-23(30)29-15-13-28(14-16-29)19-6-8-20(9-7-19)33(31,32)27-22-11-12-25-17-26-22;;;;;;;/h4-11,16-18,20H,12-15H2,1-3H3,(H,28,29,30);2-8,11,14,17H,9-10,12-13H2,1H3,(H,28,30);2-11,14,17,19,32H,12-13,15-16H2,1H3,(H,27,28);1-4,6-9,11-12,17H,5,10,13-16H2,(H,25,26,27);7*1H/t;;17-,19+;;;;;;;;/m..1......../s1.
What are the key properties of 4-[4-[3-(2-chlorophenyl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]-3-(hydroxymethyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5-methoxy-2-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen?
4-[4-[3-(2-chlorophenyl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]-3-(hydroxymethyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5-methoxy-2-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen has a molecular weight of 2155.91 g/mol, XLogP of 17.94, 27 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(2-chlorophenyl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]-3-(hydroxymethyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5-methoxy-2-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 159340622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).