4-[1-[3-(7-chloroindol-1-yl)propanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(3,5-difluorophenyl)-2-hydroxyacetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[(2R)-2-indol-1-ylpropanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen

C73H83ClF2N14O10S4 — CID 160936561

IUPAC4-[1-[3-(7-chloroindol-1-yl)propanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(3,5-difluorophenyl)-2-hydroxyacetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[(2R)-2-indol-1-ylpropanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen
SMILESC[C@H](C(=O)N1CCC(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1)n1ccc2ccccc21.O=C(C(O)c1cc(F)cc(F)c1)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1.O=C(CCn1ccc2cccc(Cl)c21)N1CCC(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C26H26ClN5O3S.C26H27N5O3S.C21H20F2N4O4S2.5H2/c27-23-3-1-2-21-11-16-32(26(21)23)17-12-25(33)31-14-9-20(10-15-31)19-4-6-22(7-5-19)36(34,35)30-24-8-13-28-18-29-24;1-19(31-17-13-22-4-2-3-5-24(22)31)26(32)30-15-11-21(12-16-30)20-6-8-23(9-7-20)35(33,34)29-25-10-14-27-18-28-25;22-15-11-14(12-16(23)13-15)19(28)20(29)27-8-6-26(7-9-27)17-1-3-18(4-2-17)33(30,31)25-21-24-5-10-32-21;;;;;/h1-8,11,13,16,18,20H,9-10,12,14-15,17H2,(H,28,29,30);2-10,13-14,17-19,21H,11-12,15-16H2,1H3,(H,27,28,29);1-5,10-13,19,28H,6-9H2,(H,24,25);5*1H/t;19-;;;;;;/m.1....../s1
InChIKeySTYLPVMWYMYDRP-WLMXQVKISA-N
MW1518.27 g/mol
LogP12.72
Rot. Bonds19

About 4-[1-[3-(7-chloroindol-1-yl)propanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(3,5-difluorophenyl)-2-hydroxyacetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[(2R)-2-indol-1-ylpropanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen

4-[1-[3-(7-chloroindol-1-yl)propanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(3,5-difluorophenyl)-2-hydroxyacetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[(2R)-2-indol-1-ylpropanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen (PubChem CID 160936561) has the molecular formula C73H83ClF2N14O10S4 and a molecular weight of 1518.27 g/mol. Its IUPAC name is 4-[1-[3-(7-chloroindol-1-yl)propanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(3,5-difluorophenyl)-2-hydroxyacetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[(2R)-2-indol-1-ylpropanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen.

Molecular Properties

Compound Name4-[1-[3-(7-chloroindol-1-yl)propanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(3,5-difluorophenyl)-2-hydroxyacetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[(2R)-2-indol-1-ylpropanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen
PubChem CID160936561
Molecular FormulaC73H83ClF2N14O10S4
Molecular Weight1518.27 g/mol
Exact Mass1516.50
IUPAC Name4-[1-[3-(7-chloroindol-1-yl)propanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(3,5-difluorophenyl)-2-hydroxyacetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[(2R)-2-indol-1-ylpropanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen
SMILESC[C@H](C(=O)N1CCC(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1)n1ccc2ccccc21.O=C(C(O)c1cc(F)cc(F)c1)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1.O=C(CCn1ccc2cccc(Cl)c21)N1CCC(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C26H26ClN5O3S.C26H27N5O3S.C21H20F2N4O4S2.5H2/c27-23-3-1-2-21-11-16-32(26(21)23)17-12-25(33)31-14-9-20(10-15-31)19-4-6-22(7-5-19)36(34,35)30-24-8-13-28-18-29-24;1-19(31-17-13-22-4-2-3-5-24(22)31)26(32)30-15-11-21(12-16-30)20-6-8-23(9-7-20)35(33,34)29-25-10-14-27-18-28-25;22-15-11-14(12-16(23)13-15)19(28)20(29)27-8-6-26(7-9-27)17-1-3-18(4-2-17)33(30,31)25-21-24-5-10-32-21;;;;;/h1-8,11,13,16,18,20H,9-10,12,14-15,17H2,(H,28,29,30);2-10,13-14,17-19,21H,11-12,15-16H2,1H3,(H,27,28,29);1-5,10-13,19,28H,6-9H2,(H,24,25);5*1H/t;19-;;;;;;/m.1....../s1
InChIKeySTYLPVMWYMYDRP-WLMXQVKISA-N
XLogP12.72
TPSA297.22 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds19
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001518.27
LogP ≤ 512.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Analyze 4-[1-[3-(7-chloroindol-1-yl)propanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(3,5-difluorophenyl)-2-hydroxyacetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[(2R)-2-indol-1-ylpropanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-(7-chloroindol-1-yl)propanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(3,5-difluorophenyl)-2-hydroxyacetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[(2R)-2-indol-1-ylpropanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen?
The IUPAC name of 4-[1-[3-(7-chloroindol-1-yl)propanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(3,5-difluorophenyl)-2-hydroxyacetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[(2R)-2-indol-1-ylpropanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen (CID 160936561) is 4-[1-[3-(7-chloroindol-1-yl)propanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(3,5-difluorophenyl)-2-hydroxyacetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[(2R)-2-indol-1-ylpropanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen.
What is the SMILES notation for 4-[1-[3-(7-chloroindol-1-yl)propanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(3,5-difluorophenyl)-2-hydroxyacetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[(2R)-2-indol-1-ylpropanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen?
The canonical SMILES for 4-[1-[3-(7-chloroindol-1-yl)propanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(3,5-difluorophenyl)-2-hydroxyacetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[(2R)-2-indol-1-ylpropanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen is C[C@H](C(=O)N1CCC(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1)n1ccc2ccccc21.O=C(C(O)c1cc(F)cc(F)c1)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1.O=C(CCn1ccc2cccc(Cl)c21)N1CCC(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 4-[1-[3-(7-chloroindol-1-yl)propanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(3,5-difluorophenyl)-2-hydroxyacetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[(2R)-2-indol-1-ylpropanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen?
The InChIKey is STYLPVMWYMYDRP-WLMXQVKISA-N. The full InChI is InChI=1S/C26H26ClN5O3S.C26H27N5O3S.C21H20F2N4O4S2.5H2/c27-23-3-1-2-21-11-16-32(26(21)23)17-12-25(33)31-14-9-20(10-15-31)19-4-6-22(7-5-19)36(34,35)30-24-8-13-28-18-29-24;1-19(31-17-13-22-4-2-3-5-24(22)31)26(32)30-15-11-21(12-16-30)20-6-8-23(9-7-20)35(33,34)29-25-10-14-27-18-28-25;22-15-11-14(12-16(23)13-15)19(28)20(29)27-8-6-26(7-9-27)17-1-3-18(4-2-17)33(30,31)25-21-24-5-10-32-21;;;;;/h1-8,11,13,16,18,20H,9-10,12,14-15,17H2,(H,28,29,30);2-10,13-14,17-19,21H,11-12,15-16H2,1H3,(H,27,28,29);1-5,10-13,19,28H,6-9H2,(H,24,25);5*1H/t;19-;;;;;;/m.1....../s1.
What are the key properties of 4-[1-[3-(7-chloroindol-1-yl)propanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(3,5-difluorophenyl)-2-hydroxyacetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[(2R)-2-indol-1-ylpropanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen?
4-[1-[3-(7-chloroindol-1-yl)propanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(3,5-difluorophenyl)-2-hydroxyacetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[(2R)-2-indol-1-ylpropanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen has a molecular weight of 1518.27 g/mol, XLogP of 12.72, 19 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-(7-chloroindol-1-yl)propanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(3,5-difluorophenyl)-2-hydroxyacetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[(2R)-2-indol-1-ylpropanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 160936561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).