4-[4-[5-[bis(4-chlorophenyl)methyl]-1-(2-hydroxyethyl)indazol-3-yl]piperidin-1-yl]sulfonylbenzamide

C34H32Cl2N4O4S — CID 126617149

IUPAC4-[4-[5-[bis(4-chlorophenyl)methyl]-1-(2-hydroxyethyl)indazol-3-yl]piperidin-1-yl]sulfonylbenzamide
SMILESNC(=O)c1ccc(S(=O)(=O)N2CCC(c3nn(CCO)c4ccc(C(c5ccc(Cl)cc5)c5ccc(Cl)cc5)cc34)CC2)cc1
InChIInChI=1S/C34H32Cl2N4O4S/c35-27-8-1-22(2-9-27)32(23-3-10-28(36)11-4-23)26-7-14-31-30(21-26)33(38-40(31)19-20-41)24-15-17-39(18-16-24)45(43,44)29-12-5-25(6-13-29)34(37)42/h1-14,21,24,32,41H,15-20H2,(H2,37,42)
InChIKeyPNYUDSFREVFTLV-UHFFFAOYSA-N
MW663.63 g/mol
LogP6.18
Rot. Bonds9

About 4-[4-[5-[bis(4-chlorophenyl)methyl]-1-(2-hydroxyethyl)indazol-3-yl]piperidin-1-yl]sulfonylbenzamide

4-[4-[5-[bis(4-chlorophenyl)methyl]-1-(2-hydroxyethyl)indazol-3-yl]piperidin-1-yl]sulfonylbenzamide (PubChem CID 126617149) has the molecular formula C34H32Cl2N4O4S and a molecular weight of 663.63 g/mol. Its IUPAC name is 4-[4-[5-[bis(4-chlorophenyl)methyl]-1-(2-hydroxyethyl)indazol-3-yl]piperidin-1-yl]sulfonylbenzamide.

Molecular Properties

Compound Name4-[4-[5-[bis(4-chlorophenyl)methyl]-1-(2-hydroxyethyl)indazol-3-yl]piperidin-1-yl]sulfonylbenzamide
PubChem CID126617149
Molecular FormulaC34H32Cl2N4O4S
Molecular Weight663.63 g/mol
Exact Mass662.15
IUPAC Name4-[4-[5-[bis(4-chlorophenyl)methyl]-1-(2-hydroxyethyl)indazol-3-yl]piperidin-1-yl]sulfonylbenzamide
SMILESNC(=O)c1ccc(S(=O)(=O)N2CCC(c3nn(CCO)c4ccc(C(c5ccc(Cl)cc5)c5ccc(Cl)cc5)cc34)CC2)cc1
InChIInChI=1S/C34H32Cl2N4O4S/c35-27-8-1-22(2-9-27)32(23-3-10-28(36)11-4-23)26-7-14-31-30(21-26)33(38-40(31)19-20-41)24-15-17-39(18-16-24)45(43,44)29-12-5-25(6-13-29)34(37)42/h1-14,21,24,32,41H,15-20H2,(H2,37,42)
InChIKeyPNYUDSFREVFTLV-UHFFFAOYSA-N
XLogP6.18
TPSA118.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.63
LogP ≤ 56.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 4-[4-[5-[bis(4-chlorophenyl)methyl]-1-(2-hydroxyethyl)indazol-3-yl]piperidin-1-yl]sulfonylbenzamide 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-[5-[bis(4-chlorophenyl)methyl]-1-(2-hydroxyethyl)indazol-3-yl]piperidin-1-yl]sulfonylbenzamide?
The IUPAC name of 4-[4-[5-[bis(4-chlorophenyl)methyl]-1-(2-hydroxyethyl)indazol-3-yl]piperidin-1-yl]sulfonylbenzamide (CID 126617149) is 4-[4-[5-[bis(4-chlorophenyl)methyl]-1-(2-hydroxyethyl)indazol-3-yl]piperidin-1-yl]sulfonylbenzamide.
What is the SMILES notation for 4-[4-[5-[bis(4-chlorophenyl)methyl]-1-(2-hydroxyethyl)indazol-3-yl]piperidin-1-yl]sulfonylbenzamide?
The canonical SMILES for 4-[4-[5-[bis(4-chlorophenyl)methyl]-1-(2-hydroxyethyl)indazol-3-yl]piperidin-1-yl]sulfonylbenzamide is NC(=O)c1ccc(S(=O)(=O)N2CCC(c3nn(CCO)c4ccc(C(c5ccc(Cl)cc5)c5ccc(Cl)cc5)cc34)CC2)cc1.
What is the InChIKey of 4-[4-[5-[bis(4-chlorophenyl)methyl]-1-(2-hydroxyethyl)indazol-3-yl]piperidin-1-yl]sulfonylbenzamide?
The InChIKey is PNYUDSFREVFTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32Cl2N4O4S/c35-27-8-1-22(2-9-27)32(23-3-10-28(36)11-4-23)26-7-14-31-30(21-26)33(38-40(31)19-20-41)24-15-17-39(18-16-24)45(43,44)29-12-5-25(6-13-29)34(37)42/h1-14,21,24,32,41H,15-20H2,(H2,37,42).
What are the key properties of 4-[4-[5-[bis(4-chlorophenyl)methyl]-1-(2-hydroxyethyl)indazol-3-yl]piperidin-1-yl]sulfonylbenzamide?
4-[4-[5-[bis(4-chlorophenyl)methyl]-1-(2-hydroxyethyl)indazol-3-yl]piperidin-1-yl]sulfonylbenzamide has a molecular weight of 663.63 g/mol, XLogP of 6.18, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-[bis(4-chlorophenyl)methyl]-1-(2-hydroxyethyl)indazol-3-yl]piperidin-1-yl]sulfonylbenzamide is sourced from PubChem (CID 126617149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).