4-[(3S)-4-[2-(7-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(2,3-dihydro-1-benzothiophen-2-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[3-[2-(2-fluorophenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-pyrimidin-4-yl-4-[4-[2-[4-(trifluoromethoxy)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide

C94H105ClF4N20O14S6 — CID 159691449

IUPAC4-[(3S)-4-[2-(7-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(2,3-dihydro-1-benzothiophen-2-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[3-[2-(2-fluorophenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-pyrimidin-4-yl-4-[4-[2-[4-(trifluoromethoxy)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide
SMILESCC(Oc1ccc(OC(F)(F)F)cc1)C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.C[C@H]1CN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CCN1C(=O)Cn1ccc2cccc(Cl)c21.O=C(CC1Cc2ccccc2S1)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.O=C1C(NCCc2ccccc2F)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C25H25ClN6O3S.C24H24F3N5O5S.C24H25N5O3S2.C21H21FN4O3S2.5H2/c1-18-15-30(20-5-7-21(8-6-20)36(34,35)29-23-9-11-27-17-28-23)13-14-32(18)24(33)16-31-12-10-19-3-2-4-22(26)25(19)31;1-17(36-19-4-6-20(7-5-19)37-24(25,26)27)23(33)32-14-12-31(13-15-32)18-2-8-21(9-3-18)38(34,35)30-22-10-11-28-16-29-22;30-24(16-20-15-18-3-1-2-4-22(18)33-20)29-13-11-28(12-14-29)19-5-7-21(8-6-19)34(31,32)27-23-9-10-25-17-26-23;22-18-4-2-1-3-15(18)9-11-23-19-10-13-26(20(19)27)16-5-7-17(8-6-16)31(28,29)25-21-24-12-14-30-21;;;;;/h2-12,17-18H,13-16H2,1H3,(H,27,28,29);2-11,16-17H,12-15H2,1H3,(H,28,29,30);1-10,17,20H,11-16H2,(H,25,26,27);1-8,12,14,19,23H,9-11,13H2,(H,24,25);5*1H/t18-;;;;;;;;/m0......../s1
InChIKeyMWLUCKQSRWFPEN-SWKBLGRISA-N
MW2042.85 g/mol
LogP14.20
Rot. Bonds28

About 4-[(3S)-4-[2-(7-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(2,3-dihydro-1-benzothiophen-2-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[3-[2-(2-fluorophenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-pyrimidin-4-yl-4-[4-[2-[4-(trifluoromethoxy)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide

4-[(3S)-4-[2-(7-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(2,3-dihydro-1-benzothiophen-2-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[3-[2-(2-fluorophenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-pyrimidin-4-yl-4-[4-[2-[4-(trifluoromethoxy)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide (PubChem CID 159691449) has the molecular formula C94H105ClF4N20O14S6 and a molecular weight of 2042.85 g/mol. Its IUPAC name is 4-[(3S)-4-[2-(7-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(2,3-dihydro-1-benzothiophen-2-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[3-[2-(2-fluorophenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-pyrimidin-4-yl-4-[4-[2-[4-(trifluoromethoxy)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(3S)-4-[2-(7-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(2,3-dihydro-1-benzothiophen-2-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[3-[2-(2-fluorophenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-pyrimidin-4-yl-4-[4-[2-[4-(trifluoromethoxy)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide
PubChem CID159691449
Molecular FormulaC94H105ClF4N20O14S6
Molecular Weight2042.85 g/mol
Exact Mass2040.61
IUPAC Name4-[(3S)-4-[2-(7-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(2,3-dihydro-1-benzothiophen-2-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[3-[2-(2-fluorophenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-pyrimidin-4-yl-4-[4-[2-[4-(trifluoromethoxy)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide
SMILESCC(Oc1ccc(OC(F)(F)F)cc1)C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.C[C@H]1CN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CCN1C(=O)Cn1ccc2cccc(Cl)c21.O=C(CC1Cc2ccccc2S1)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.O=C1C(NCCc2ccccc2F)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C25H25ClN6O3S.C24H24F3N5O5S.C24H25N5O3S2.C21H21FN4O3S2.5H2/c1-18-15-30(20-5-7-21(8-6-20)36(34,35)29-23-9-11-27-17-28-23)13-14-32(18)24(33)16-31-12-10-19-3-2-4-22(26)25(19)31;1-17(36-19-4-6-20(7-5-19)37-24(25,26)27)23(33)32-14-12-31(13-15-32)18-2-8-21(9-3-18)38(34,35)30-22-10-11-28-16-29-22;30-24(16-20-15-18-3-1-2-4-22(18)33-20)29-13-11-28(12-14-29)19-5-7-21(8-6-19)34(31,32)27-23-9-10-25-17-26-23;22-18-4-2-1-3-15(18)9-11-23-19-10-13-26(20(19)27)16-5-7-17(8-6-16)31(28,29)25-21-24-12-14-30-21;;;;;/h2-12,17-18H,13-16H2,1H3,(H,27,28,29);2-11,16-17H,12-15H2,1H3,(H,28,29,30);1-10,17,20H,11-16H2,(H,25,26,27);1-8,12,14,19,23H,9-11,13H2,(H,24,25);5*1H/t18-;;;;;;;;/m0......../s1
InChIKeyMWLUCKQSRWFPEN-SWKBLGRISA-N
XLogP14.20
TPSA401.29 Ų
H-Bond Donors5
H-Bond Acceptors28
Rotatable Bonds28
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002042.85
LogP ≤ 514.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1028

Analyze 4-[(3S)-4-[2-(7-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(2,3-dihydro-1-benzothiophen-2-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[3-[2-(2-fluorophenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-pyrimidin-4-yl-4-[4-[2-[4-(trifluoromethoxy)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

4-[4-[2-(3-chloro-4-fluorophenoxy)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]-3-oxopiperidin-4-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen;N-(1,2,4-thiadiazol-5-yl)-4-[1-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]piperidin-4-yl]benzenesulfonamide
CID 157185773
4-[(3R)-4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]-3-(hydroxymethyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5-chloro-2-methylindol-1-yl)acetyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-(3-indol-1-yl-2-oxopropanoyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;pyrimidin-4-amine;4-[4-[2-[4-(trifluoromethoxy)anilino]propanoyl]piperazin-1-yl]benzenesulfinate
CID 157217055
4-[1-[2-(7-chloroindol-1-yl)acetyl]-4-hydroxypiperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2R)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-2-ylbenzenesulfonamide;4-[4-[(2S)-2-(7-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-pyrimidin-4-yl-4-[4-[2-[3-(trifluoromethyl)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide
CID 157237878
(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
4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-[2-chloro-5-(trifluoromethyl)phenoxy]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 157480214
4-[1-[2-(7-chloroindol-1-yl)acetyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(4-hydroxyphenoxy)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;4-[2-oxo-4-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 157679305
4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-[2-(trifluoromethyl)pyrimidin-4-yl]benzenesulfonamide;2,3-dihydro-1,4-benzodioxin-3-yl-[4-[4-(pyrimidin-4-ylmethylsulfonyl)phenyl]piperazin-1-yl]methanone;(2R)-2-indol-1-yl-N-[1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide;molecular hydrogen
CID 157763191
4-[4-[2-(4-cyanoindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-(4-ethoxyphenoxy)-2-oxopyrrolidin-1-yl]benzenesulfinate;4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;N-pyrimidin-4-yl-4-[4-[2-[4-(trifluoromethoxy)phenoxy]acetyl]piperazin-1-yl]benzenesulfonamide;1,3-thiazol-2-amine
CID 158046138
azane;4-[4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]propanoyl]piperazin-1-yl]benzenesulfinate;4-[4-[2-(3-methylindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;pyrimidin-4-amine
CID 158053022
3-(5-chloroindol-1-yl)-N-[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide;4-[4-[2-(4-fluoroanilino)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-[4-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]piperazin-1-yl]benzenesulfinamide;molecular hydrogen;hydrate
CID 158352152
4-[4-[2-(5-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[(2R)-2-(8-ethoxy-3,4-dihydro-2H-quinolin-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-(1,2,4-thiadiazol-5-yl)-4-[4-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]piperazin-1-yl]benzenesulfonamide
CID 158626938
4-[1-[2-(7-chloroindol-1-yl)acetyl]-4-hydroxypiperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(7-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-pyrimidin-4-yl-4-[4-[2-[3-(trifluoromethyl)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide
CID 158962599

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-4-[2-(7-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(2,3-dihydro-1-benzothiophen-2-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[3-[2-(2-fluorophenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-pyrimidin-4-yl-4-[4-[2-[4-(trifluoromethoxy)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide?
The IUPAC name of 4-[(3S)-4-[2-(7-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(2,3-dihydro-1-benzothiophen-2-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[3-[2-(2-fluorophenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-pyrimidin-4-yl-4-[4-[2-[4-(trifluoromethoxy)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide (CID 159691449) is 4-[(3S)-4-[2-(7-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(2,3-dihydro-1-benzothiophen-2-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[3-[2-(2-fluorophenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-pyrimidin-4-yl-4-[4-[2-[4-(trifluoromethoxy)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[(3S)-4-[2-(7-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(2,3-dihydro-1-benzothiophen-2-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[3-[2-(2-fluorophenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-pyrimidin-4-yl-4-[4-[2-[4-(trifluoromethoxy)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[(3S)-4-[2-(7-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(2,3-dihydro-1-benzothiophen-2-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[3-[2-(2-fluorophenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-pyrimidin-4-yl-4-[4-[2-[4-(trifluoromethoxy)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide is CC(Oc1ccc(OC(F)(F)F)cc1)C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.C[C@H]1CN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CCN1C(=O)Cn1ccc2cccc(Cl)c21.O=C(CC1Cc2ccccc2S1)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.O=C1C(NCCc2ccccc2F)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 4-[(3S)-4-[2-(7-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(2,3-dihydro-1-benzothiophen-2-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[3-[2-(2-fluorophenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-pyrimidin-4-yl-4-[4-[2-[4-(trifluoromethoxy)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide?
The InChIKey is MWLUCKQSRWFPEN-SWKBLGRISA-N. The full InChI is InChI=1S/C25H25ClN6O3S.C24H24F3N5O5S.C24H25N5O3S2.C21H21FN4O3S2.5H2/c1-18-15-30(20-5-7-21(8-6-20)36(34,35)29-23-9-11-27-17-28-23)13-14-32(18)24(33)16-31-12-10-19-3-2-4-22(26)25(19)31;1-17(36-19-4-6-20(7-5-19)37-24(25,26)27)23(33)32-14-12-31(13-15-32)18-2-8-21(9-3-18)38(34,35)30-22-10-11-28-16-29-22;30-24(16-20-15-18-3-1-2-4-22(18)33-20)29-13-11-28(12-14-29)19-5-7-21(8-6-19)34(31,32)27-23-9-10-25-17-26-23;22-18-4-2-1-3-15(18)9-11-23-19-10-13-26(20(19)27)16-5-7-17(8-6-16)31(28,29)25-21-24-12-14-30-21;;;;;/h2-12,17-18H,13-16H2,1H3,(H,27,28,29);2-11,16-17H,12-15H2,1H3,(H,28,29,30);1-10,17,20H,11-16H2,(H,25,26,27);1-8,12,14,19,23H,9-11,13H2,(H,24,25);5*1H/t18-;;;;;;;;/m0......../s1.
What are the key properties of 4-[(3S)-4-[2-(7-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(2,3-dihydro-1-benzothiophen-2-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[3-[2-(2-fluorophenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-pyrimidin-4-yl-4-[4-[2-[4-(trifluoromethoxy)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide?
4-[(3S)-4-[2-(7-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(2,3-dihydro-1-benzothiophen-2-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[3-[2-(2-fluorophenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-pyrimidin-4-yl-4-[4-[2-[4-(trifluoromethoxy)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide has a molecular weight of 2042.85 g/mol, XLogP of 14.20, 28 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-4-[2-(7-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(2,3-dihydro-1-benzothiophen-2-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[3-[2-(2-fluorophenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-pyrimidin-4-yl-4-[4-[2-[4-(trifluoromethoxy)phenoxy]propanoyl]piperazin-1-yl]benzenesulfonamide is sourced from PubChem (CID 159691449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).