4-[[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-1H-indol-3-yl]-(4-hydroxyphenyl)methyl]phenol

C31H28ClN3O4S — CID 67594262

IUPAC4-[[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-1H-indol-3-yl]-(4-hydroxyphenyl)methyl]phenol
SMILESO=S(=O)(c1[nH]c2ccccc2c1C(c1ccc(O)cc1)c1ccc(O)cc1)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C31H28ClN3O4S/c32-26-6-2-4-8-28(26)34-17-19-35(20-18-34)40(38,39)31-30(25-5-1-3-7-27(25)33-31)29(21-9-13-23(36)14-10-21)22-11-15-24(37)16-12-22/h1-16,29,33,36-37H,17-20H2
InChIKeyUWSCZQHTTPHNMZ-UHFFFAOYSA-N
MW574.10 g/mol
LogP5.92
Rot. Bonds6

About 4-[[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-1H-indol-3-yl]-(4-hydroxyphenyl)methyl]phenol

4-[[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-1H-indol-3-yl]-(4-hydroxyphenyl)methyl]phenol (PubChem CID 67594262) has the molecular formula C31H28ClN3O4S and a molecular weight of 574.10 g/mol. Its IUPAC name is 4-[[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-1H-indol-3-yl]-(4-hydroxyphenyl)methyl]phenol.

Molecular Properties

Compound Name4-[[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-1H-indol-3-yl]-(4-hydroxyphenyl)methyl]phenol
PubChem CID67594262
Molecular FormulaC31H28ClN3O4S
Molecular Weight574.10 g/mol
Exact Mass573.15
IUPAC Name4-[[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-1H-indol-3-yl]-(4-hydroxyphenyl)methyl]phenol
SMILESO=S(=O)(c1[nH]c2ccccc2c1C(c1ccc(O)cc1)c1ccc(O)cc1)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C31H28ClN3O4S/c32-26-6-2-4-8-28(26)34-17-19-35(20-18-34)40(38,39)31-30(25-5-1-3-7-27(25)33-31)29(21-9-13-23(36)14-10-21)22-11-15-24(37)16-12-22/h1-16,29,33,36-37H,17-20H2
InChIKeyUWSCZQHTTPHNMZ-UHFFFAOYSA-N
XLogP5.92
TPSA96.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.10
LogP ≤ 55.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-1H-indol-3-yl]-(4-hydroxyphenyl)methyl]phenol 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-[[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-1H-indol-3-yl]-(4-hydroxyphenyl)methyl]phenol?
The IUPAC name of 4-[[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-1H-indol-3-yl]-(4-hydroxyphenyl)methyl]phenol (CID 67594262) is 4-[[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-1H-indol-3-yl]-(4-hydroxyphenyl)methyl]phenol.
What is the SMILES notation for 4-[[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-1H-indol-3-yl]-(4-hydroxyphenyl)methyl]phenol?
The canonical SMILES for 4-[[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-1H-indol-3-yl]-(4-hydroxyphenyl)methyl]phenol is O=S(=O)(c1[nH]c2ccccc2c1C(c1ccc(O)cc1)c1ccc(O)cc1)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 4-[[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-1H-indol-3-yl]-(4-hydroxyphenyl)methyl]phenol?
The InChIKey is UWSCZQHTTPHNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28ClN3O4S/c32-26-6-2-4-8-28(26)34-17-19-35(20-18-34)40(38,39)31-30(25-5-1-3-7-27(25)33-31)29(21-9-13-23(36)14-10-21)22-11-15-24(37)16-12-22/h1-16,29,33,36-37H,17-20H2.
What are the key properties of 4-[[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-1H-indol-3-yl]-(4-hydroxyphenyl)methyl]phenol?
4-[[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-1H-indol-3-yl]-(4-hydroxyphenyl)methyl]phenol has a molecular weight of 574.10 g/mol, XLogP of 5.92, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-1H-indol-3-yl]-(4-hydroxyphenyl)methyl]phenol is sourced from PubChem (CID 67594262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).