4-[4-[2-(3-chloro-N-methylanilino)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonamide;4-[4-[2-(2-methylindol-1-yl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen

C74H90ClFN16O10S4 — CID 159520928

IUPAC4-[4-[2-(3-chloro-N-methylanilino)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonamide;4-[4-[2-(2-methylindol-1-yl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
SMILESCN(CC(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1)c1cccc(Cl)c1.Cc1cc2ccccc2n1CC(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1.Cc1noc(NS(=O)(=O)c2ccc(N3CCN(C(=O)[C@@H](C)N4CCCc5cc(F)ccc54)CC3)cc2)c1C.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C27H32FN5O4S.C24H25N5O3S2.C23H25ClN6O3S.4H2/c1-18-19(2)29-37-26(18)30-38(35,36)24-9-7-23(8-10-24)31-13-15-32(16-14-31)27(34)20(3)33-12-4-5-21-17-22(28)6-11-25(21)33;1-18-16-19-4-2-3-5-22(19)29(18)17-23(30)28-13-11-27(12-14-28)20-6-8-21(9-7-20)34(31,32)26-24-25-10-15-33-24;1-28(20-4-2-3-18(24)15-20)16-23(31)30-13-11-29(12-14-30)19-5-7-21(8-6-19)34(32,33)27-22-9-10-25-17-26-22;;;;/h6-11,17,20,30H,4-5,12-16H2,1-3H3;2-10,15-16H,11-14,17H2,1H3,(H,25,26);2-10,15,17H,11-14,16H2,1H3,(H,25,26,27);4*1H/t20-;;;;;;/m1....../s1
InChIKeyMBUBVNBTQHQYIH-UXGSIVDGSA-N
MW1546.35 g/mol
LogP10.98
Rot. Bonds19

About 4-[4-[2-(3-chloro-N-methylanilino)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonamide;4-[4-[2-(2-methylindol-1-yl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen

4-[4-[2-(3-chloro-N-methylanilino)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonamide;4-[4-[2-(2-methylindol-1-yl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen (PubChem CID 159520928) has the molecular formula C74H90ClFN16O10S4 and a molecular weight of 1546.35 g/mol. Its IUPAC name is 4-[4-[2-(3-chloro-N-methylanilino)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonamide;4-[4-[2-(2-methylindol-1-yl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen.

Molecular Properties

Compound Name4-[4-[2-(3-chloro-N-methylanilino)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonamide;4-[4-[2-(2-methylindol-1-yl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
PubChem CID159520928
Molecular FormulaC74H90ClFN16O10S4
Molecular Weight1546.35 g/mol
Exact Mass1544.56
IUPAC Name4-[4-[2-(3-chloro-N-methylanilino)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonamide;4-[4-[2-(2-methylindol-1-yl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
SMILESCN(CC(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1)c1cccc(Cl)c1.Cc1cc2ccccc2n1CC(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1.Cc1noc(NS(=O)(=O)c2ccc(N3CCN(C(=O)[C@@H](C)N4CCCc5cc(F)ccc54)CC3)cc2)c1C.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C27H32FN5O4S.C24H25N5O3S2.C23H25ClN6O3S.4H2/c1-18-19(2)29-37-26(18)30-38(35,36)24-9-7-23(8-10-24)31-13-15-32(16-14-31)27(34)20(3)33-12-4-5-21-17-22(28)6-11-25(21)33;1-18-16-19-4-2-3-5-22(19)29(18)17-23(30)28-13-11-27(12-14-28)20-6-8-21(9-7-20)34(31,32)26-24-25-10-15-33-24;1-28(20-4-2-3-18(24)15-20)16-23(31)30-13-11-29(12-14-30)19-5-7-21(8-6-19)34(32,33)27-22-9-10-25-17-26-22;;;;/h6-11,17,20,30H,4-5,12-16H2,1-3H3;2-10,15-16H,11-14,17H2,1H3,(H,25,26);2-10,15,17H,11-14,16H2,1H3,(H,25,26,27);4*1H/t20-;;;;;;/m1....../s1
InChIKeyMBUBVNBTQHQYIH-UXGSIVDGSA-N
XLogP10.98
TPSA285.27 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds19
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001546.35
LogP ≤ 510.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

Analyze 4-[4-[2-(3-chloro-N-methylanilino)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonamide;4-[4-[2-(2-methylindol-1-yl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(3-chloro-N-methylanilino)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonamide;4-[4-[2-(2-methylindol-1-yl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?
The IUPAC name of 4-[4-[2-(3-chloro-N-methylanilino)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonamide;4-[4-[2-(2-methylindol-1-yl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen (CID 159520928) is 4-[4-[2-(3-chloro-N-methylanilino)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonamide;4-[4-[2-(2-methylindol-1-yl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen.
What is the SMILES notation for 4-[4-[2-(3-chloro-N-methylanilino)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonamide;4-[4-[2-(2-methylindol-1-yl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?
The canonical SMILES for 4-[4-[2-(3-chloro-N-methylanilino)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonamide;4-[4-[2-(2-methylindol-1-yl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen is CN(CC(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1)c1cccc(Cl)c1.Cc1cc2ccccc2n1CC(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1.Cc1noc(NS(=O)(=O)c2ccc(N3CCN(C(=O)[C@@H](C)N4CCCc5cc(F)ccc54)CC3)cc2)c1C.[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 4-[4-[2-(3-chloro-N-methylanilino)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonamide;4-[4-[2-(2-methylindol-1-yl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?
The InChIKey is MBUBVNBTQHQYIH-UXGSIVDGSA-N. The full InChI is InChI=1S/C27H32FN5O4S.C24H25N5O3S2.C23H25ClN6O3S.4H2/c1-18-19(2)29-37-26(18)30-38(35,36)24-9-7-23(8-10-24)31-13-15-32(16-14-31)27(34)20(3)33-12-4-5-21-17-22(28)6-11-25(21)33;1-18-16-19-4-2-3-5-22(19)29(18)17-23(30)28-13-11-27(12-14-28)20-6-8-21(9-7-20)34(31,32)26-24-25-10-15-33-24;1-28(20-4-2-3-18(24)15-20)16-23(31)30-13-11-29(12-14-30)19-5-7-21(8-6-19)34(32,33)27-22-9-10-25-17-26-22;;;;/h6-11,17,20,30H,4-5,12-16H2,1-3H3;2-10,15-16H,11-14,17H2,1H3,(H,25,26);2-10,15,17H,11-14,16H2,1H3,(H,25,26,27);4*1H/t20-;;;;;;/m1....../s1.
What are the key properties of 4-[4-[2-(3-chloro-N-methylanilino)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonamide;4-[4-[2-(2-methylindol-1-yl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?
4-[4-[2-(3-chloro-N-methylanilino)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonamide;4-[4-[2-(2-methylindol-1-yl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen has a molecular weight of 1546.35 g/mol, XLogP of 10.98, 19 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(3-chloro-N-methylanilino)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonamide;4-[4-[2-(2-methylindol-1-yl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 159520928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).