4-[5-[4-(hydroxymethyl)phenyl]-3-(2-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[4-(hydroxymethyl)phenyl]-3-(3-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[4-(hydroxymethyl)phenyl]-3-(4-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide;4-[3-(2-hydroxyphenyl)-5-[4-(methylaminomethyl)phenyl]pyrazol-1-yl]benzenesulfonamide;4-[3-(4-hydroxyphenyl)-5-phenylpyrazol-1-yl]benzenesulfonamide

C110H96N16O18S5 — CID 159572570

IUPAC4-[5-[4-(hydroxymethyl)phenyl]-3-(2-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[4-(hydroxymethyl)phenyl]-3-(3-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[4-(hydroxymethyl)phenyl]-3-(4-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide;4-[3-(2-hydroxyphenyl)-5-[4-(methylaminomethyl)phenyl]pyrazol-1-yl]benzenesulfonamide;4-[3-(4-hydroxyphenyl)-5-phenylpyrazol-1-yl]benzenesulfonamide
SMILESCNCc1ccc(-c2cc(-c3ccccc3O)nn2-c2ccc(S(N)(=O)=O)cc2)cc1.NS(=O)(=O)c1ccc(-n2nc(-c3ccc(O)cc3)cc2-c2ccc(CO)cc2)cc1.NS(=O)(=O)c1ccc(-n2nc(-c3ccc(O)cc3)cc2-c2ccccc2)cc1.NS(=O)(=O)c1ccc(-n2nc(-c3cccc(O)c3)cc2-c2ccc(CO)cc2)cc1.NS(=O)(=O)c1ccc(-n2nc(-c3ccccc3O)cc2-c2ccc(CO)cc2)cc1
InChIInChI=1S/C23H22N4O3S.3C22H19N3O4S.C21H17N3O3S/c1-25-15-16-6-8-17(9-7-16)22-14-21(20-4-2-3-5-23(20)28)26-27(22)18-10-12-19(13-11-18)31(24,29)30;23-30(28,29)20-11-7-18(8-12-20)25-22(17-3-1-15(14-26)2-4-17)13-21(24-25)16-5-9-19(27)10-6-16;23-30(28,29)20-10-8-18(9-11-20)25-22(16-6-4-15(14-26)5-7-16)13-21(24-25)17-2-1-3-19(27)12-17;23-30(28,29)18-11-9-17(10-12-18)25-21(16-7-5-15(14-26)6-8-16)13-20(24-25)19-3-1-2-4-22(19)27;22-28(26,27)19-12-8-17(9-13-19)24-21(16-4-2-1-3-5-16)14-20(23-24)15-6-10-18(25)11-7-15/h2-14,25,28H,15H2,1H3,(H2,24,29,30);3*1-13,26-27H,14H2,(H2,23,28,29);1-14,25H,(H2,22,26,27)
InChIKeyMHZSMWYDRXNPDV-UHFFFAOYSA-N
MW2090.41 g/mol
LogP15.99
Rot. Bonds25

About 4-[5-[4-(hydroxymethyl)phenyl]-3-(2-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[4-(hydroxymethyl)phenyl]-3-(3-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[4-(hydroxymethyl)phenyl]-3-(4-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide;4-[3-(2-hydroxyphenyl)-5-[4-(methylaminomethyl)phenyl]pyrazol-1-yl]benzenesulfonamide;4-[3-(4-hydroxyphenyl)-5-phenylpyrazol-1-yl]benzenesulfonamide

4-[5-[4-(hydroxymethyl)phenyl]-3-(2-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[4-(hydroxymethyl)phenyl]-3-(3-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[4-(hydroxymethyl)phenyl]-3-(4-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide;4-[3-(2-hydroxyphenyl)-5-[4-(methylaminomethyl)phenyl]pyrazol-1-yl]benzenesulfonamide;4-[3-(4-hydroxyphenyl)-5-phenylpyrazol-1-yl]benzenesulfonamide (PubChem CID 159572570) has the molecular formula C110H96N16O18S5 and a molecular weight of 2090.41 g/mol. Its IUPAC name is 4-[5-[4-(hydroxymethyl)phenyl]-3-(2-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[4-(hydroxymethyl)phenyl]-3-(3-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[4-(hydroxymethyl)phenyl]-3-(4-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide;4-[3-(2-hydroxyphenyl)-5-[4-(methylaminomethyl)phenyl]pyrazol-1-yl]benzenesulfonamide;4-[3-(4-hydroxyphenyl)-5-phenylpyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-[4-(hydroxymethyl)phenyl]-3-(2-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[4-(hydroxymethyl)phenyl]-3-(3-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[4-(hydroxymethyl)phenyl]-3-(4-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide;4-[3-(2-hydroxyphenyl)-5-[4-(methylaminomethyl)phenyl]pyrazol-1-yl]benzenesulfonamide;4-[3-(4-hydroxyphenyl)-5-phenylpyrazol-1-yl]benzenesulfonamide
PubChem CID159572570
Molecular FormulaC110H96N16O18S5
Molecular Weight2090.41 g/mol
Exact Mass2088.57
IUPAC Name4-[5-[4-(hydroxymethyl)phenyl]-3-(2-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[4-(hydroxymethyl)phenyl]-3-(3-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[4-(hydroxymethyl)phenyl]-3-(4-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide;4-[3-(2-hydroxyphenyl)-5-[4-(methylaminomethyl)phenyl]pyrazol-1-yl]benzenesulfonamide;4-[3-(4-hydroxyphenyl)-5-phenylpyrazol-1-yl]benzenesulfonamide
SMILESCNCc1ccc(-c2cc(-c3ccccc3O)nn2-c2ccc(S(N)(=O)=O)cc2)cc1.NS(=O)(=O)c1ccc(-n2nc(-c3ccc(O)cc3)cc2-c2ccc(CO)cc2)cc1.NS(=O)(=O)c1ccc(-n2nc(-c3ccc(O)cc3)cc2-c2ccccc2)cc1.NS(=O)(=O)c1ccc(-n2nc(-c3cccc(O)c3)cc2-c2ccc(CO)cc2)cc1.NS(=O)(=O)c1ccc(-n2nc(-c3ccccc3O)cc2-c2ccc(CO)cc2)cc1
InChIInChI=1S/C23H22N4O3S.3C22H19N3O4S.C21H17N3O3S/c1-25-15-16-6-8-17(9-7-16)22-14-21(20-4-2-3-5-23(20)28)26-27(22)18-10-12-19(13-11-18)31(24,29)30;23-30(28,29)20-11-7-18(8-12-20)25-22(17-3-1-15(14-26)2-4-17)13-21(24-25)16-5-9-19(27)10-6-16;23-30(28,29)20-10-8-18(9-11-20)25-22(16-6-4-15(14-26)5-7-16)13-21(24-25)17-2-1-3-19(27)12-17;23-30(28,29)18-11-9-17(10-12-18)25-21(16-7-5-15(14-26)6-8-16)13-20(24-25)19-3-1-2-4-22(19)27;22-28(26,27)19-12-8-17(9-13-19)24-21(16-4-2-1-3-5-16)14-20(23-24)15-6-10-18(25)11-7-15/h2-14,25,28H,15H2,1H3,(H2,24,29,30);3*1-13,26-27H,14H2,(H2,23,28,29);1-14,25H,(H2,22,26,27)
InChIKeyMHZSMWYDRXNPDV-UHFFFAOYSA-N
XLogP15.99
TPSA563.77 Ų
H-Bond Donors14
H-Bond Acceptors29
Rotatable Bonds25
Heavy Atoms149
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002090.41
LogP ≤ 515.99
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1029

Analyze 4-[5-[4-(hydroxymethyl)phenyl]-3-(2-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[4-(hydroxymethyl)phenyl]-3-(3-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[4-(hydroxymethyl)phenyl]-3-(4-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide;4-[3-(2-hydroxyphenyl)-5-[4-(methylaminomethyl)phenyl]pyrazol-1-yl]benzenesulfonamide;4-[3-(4-hydroxyphenyl)-5-phenylpyrazol-1-yl]benzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-(hydroxymethyl)phenyl]-3-(2-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[4-(hydroxymethyl)phenyl]-3-(3-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[4-(hydroxymethyl)phenyl]-3-(4-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide;4-[3-(2-hydroxyphenyl)-5-[4-(methylaminomethyl)phenyl]pyrazol-1-yl]benzenesulfonamide;4-[3-(4-hydroxyphenyl)-5-phenylpyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-[4-(hydroxymethyl)phenyl]-3-(2-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[4-(hydroxymethyl)phenyl]-3-(3-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[4-(hydroxymethyl)phenyl]-3-(4-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide;4-[3-(2-hydroxyphenyl)-5-[4-(methylaminomethyl)phenyl]pyrazol-1-yl]benzenesulfonamide;4-[3-(4-hydroxyphenyl)-5-phenylpyrazol-1-yl]benzenesulfonamide (CID 159572570) is 4-[5-[4-(hydroxymethyl)phenyl]-3-(2-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[4-(hydroxymethyl)phenyl]-3-(3-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[4-(hydroxymethyl)phenyl]-3-(4-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide;4-[3-(2-hydroxyphenyl)-5-[4-(methylaminomethyl)phenyl]pyrazol-1-yl]benzenesulfonamide;4-[3-(4-hydroxyphenyl)-5-phenylpyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-[4-(hydroxymethyl)phenyl]-3-(2-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[4-(hydroxymethyl)phenyl]-3-(3-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[4-(hydroxymethyl)phenyl]-3-(4-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide;4-[3-(2-hydroxyphenyl)-5-[4-(methylaminomethyl)phenyl]pyrazol-1-yl]benzenesulfonamide;4-[3-(4-hydroxyphenyl)-5-phenylpyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-[4-(hydroxymethyl)phenyl]-3-(2-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[4-(hydroxymethyl)phenyl]-3-(3-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[4-(hydroxymethyl)phenyl]-3-(4-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide;4-[3-(2-hydroxyphenyl)-5-[4-(methylaminomethyl)phenyl]pyrazol-1-yl]benzenesulfonamide;4-[3-(4-hydroxyphenyl)-5-phenylpyrazol-1-yl]benzenesulfonamide is CNCc1ccc(-c2cc(-c3ccccc3O)nn2-c2ccc(S(N)(=O)=O)cc2)cc1.NS(=O)(=O)c1ccc(-n2nc(-c3ccc(O)cc3)cc2-c2ccc(CO)cc2)cc1.NS(=O)(=O)c1ccc(-n2nc(-c3ccc(O)cc3)cc2-c2ccccc2)cc1.NS(=O)(=O)c1ccc(-n2nc(-c3cccc(O)c3)cc2-c2ccc(CO)cc2)cc1.NS(=O)(=O)c1ccc(-n2nc(-c3ccccc3O)cc2-c2ccc(CO)cc2)cc1.
What is the InChIKey of 4-[5-[4-(hydroxymethyl)phenyl]-3-(2-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[4-(hydroxymethyl)phenyl]-3-(3-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[4-(hydroxymethyl)phenyl]-3-(4-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide;4-[3-(2-hydroxyphenyl)-5-[4-(methylaminomethyl)phenyl]pyrazol-1-yl]benzenesulfonamide;4-[3-(4-hydroxyphenyl)-5-phenylpyrazol-1-yl]benzenesulfonamide?
The InChIKey is MHZSMWYDRXNPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S.3C22H19N3O4S.C21H17N3O3S/c1-25-15-16-6-8-17(9-7-16)22-14-21(20-4-2-3-5-23(20)28)26-27(22)18-10-12-19(13-11-18)31(24,29)30;23-30(28,29)20-11-7-18(8-12-20)25-22(17-3-1-15(14-26)2-4-17)13-21(24-25)16-5-9-19(27)10-6-16;23-30(28,29)20-10-8-18(9-11-20)25-22(16-6-4-15(14-26)5-7-16)13-21(24-25)17-2-1-3-19(27)12-17;23-30(28,29)18-11-9-17(10-12-18)25-21(16-7-5-15(14-26)6-8-16)13-20(24-25)19-3-1-2-4-22(19)27;22-28(26,27)19-12-8-17(9-13-19)24-21(16-4-2-1-3-5-16)14-20(23-24)15-6-10-18(25)11-7-15/h2-14,25,28H,15H2,1H3,(H2,24,29,30);3*1-13,26-27H,14H2,(H2,23,28,29);1-14,25H,(H2,22,26,27).
What are the key properties of 4-[5-[4-(hydroxymethyl)phenyl]-3-(2-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[4-(hydroxymethyl)phenyl]-3-(3-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[4-(hydroxymethyl)phenyl]-3-(4-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide;4-[3-(2-hydroxyphenyl)-5-[4-(methylaminomethyl)phenyl]pyrazol-1-yl]benzenesulfonamide;4-[3-(4-hydroxyphenyl)-5-phenylpyrazol-1-yl]benzenesulfonamide?
4-[5-[4-(hydroxymethyl)phenyl]-3-(2-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[4-(hydroxymethyl)phenyl]-3-(3-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[4-(hydroxymethyl)phenyl]-3-(4-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide;4-[3-(2-hydroxyphenyl)-5-[4-(methylaminomethyl)phenyl]pyrazol-1-yl]benzenesulfonamide;4-[3-(4-hydroxyphenyl)-5-phenylpyrazol-1-yl]benzenesulfonamide has a molecular weight of 2090.41 g/mol, XLogP of 15.99, 25 rotatable bonds, 14 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-(hydroxymethyl)phenyl]-3-(2-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[4-(hydroxymethyl)phenyl]-3-(3-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[4-(hydroxymethyl)phenyl]-3-(4-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide;4-[3-(2-hydroxyphenyl)-5-[4-(methylaminomethyl)phenyl]pyrazol-1-yl]benzenesulfonamide;4-[3-(4-hydroxyphenyl)-5-phenylpyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 159572570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).