4-[4-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]phenol

C14H17ClN4O3S — CID 15100258

IUPAC4-[4-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]phenol
SMILESCn1cnc(S(=O)(=O)N2CCN(c3ccc(O)cc3)CC2)c1Cl
InChIInChI=1S/C14H17ClN4O3S/c1-17-10-16-14(13(17)15)23(21,22)19-8-6-18(7-9-19)11-2-4-12(20)5-3-11/h2-5,10,20H,6-9H2,1H3
InChIKeyUPZZKINSMMKOLI-UHFFFAOYSA-N
MW356.84 g/mol
LogP1.29
Rot. Bonds3

About 4-[4-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]phenol

4-[4-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]phenol (PubChem CID 15100258) has the molecular formula C14H17ClN4O3S and a molecular weight of 356.84 g/mol. Its IUPAC name is 4-[4-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]phenol.

Molecular Properties

Compound Name4-[4-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]phenol
PubChem CID15100258
Molecular FormulaC14H17ClN4O3S
Molecular Weight356.84 g/mol
Exact Mass356.07
IUPAC Name4-[4-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]phenol
SMILESCn1cnc(S(=O)(=O)N2CCN(c3ccc(O)cc3)CC2)c1Cl
InChIInChI=1S/C14H17ClN4O3S/c1-17-10-16-14(13(17)15)23(21,22)19-8-6-18(7-9-19)11-2-4-12(20)5-3-11/h2-5,10,20H,6-9H2,1H3
InChIKeyUPZZKINSMMKOLI-UHFFFAOYSA-N
XLogP1.29
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.84
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[4-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]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-[4-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]phenol?
The IUPAC name of 4-[4-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]phenol (CID 15100258) is 4-[4-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]phenol.
What is the SMILES notation for 4-[4-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]phenol?
The canonical SMILES for 4-[4-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]phenol is Cn1cnc(S(=O)(=O)N2CCN(c3ccc(O)cc3)CC2)c1Cl.
What is the InChIKey of 4-[4-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]phenol?
The InChIKey is UPZZKINSMMKOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O3S/c1-17-10-16-14(13(17)15)23(21,22)19-8-6-18(7-9-19)11-2-4-12(20)5-3-11/h2-5,10,20H,6-9H2,1H3.
What are the key properties of 4-[4-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]phenol?
4-[4-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]phenol has a molecular weight of 356.84 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]phenol is sourced from PubChem (CID 15100258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).