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

C14H18N4O3S — CID 3071454

IUPAC4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]phenol
SMILESCn1cnc(S(=O)(=O)N2CCN(c3ccc(O)cc3)CC2)c1
InChIInChI=1S/C14H18N4O3S/c1-16-10-14(15-11-16)22(20,21)18-8-6-17(7-9-18)12-2-4-13(19)5-3-12/h2-5,10-11,19H,6-9H2,1H3
InChIKeyILHDHRDACKXOSG-UHFFFAOYSA-N
MW322.39 g/mol
LogP0.64
Rot. Bonds3

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

4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]phenol (PubChem CID 3071454) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is 4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]phenol.

Molecular Properties

Compound Name4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]phenol
PubChem CID3071454
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Name4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]phenol
SMILESCn1cnc(S(=O)(=O)N2CCN(c3ccc(O)cc3)CC2)c1
InChIInChI=1S/C14H18N4O3S/c1-16-10-14(15-11-16)22(20,21)18-8-6-17(7-9-18)12-2-4-13(19)5-3-12/h2-5,10-11,19H,6-9H2,1H3
InChIKeyILHDHRDACKXOSG-UHFFFAOYSA-N
XLogP0.64
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]phenol?
The IUPAC name of 4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]phenol (CID 3071454) is 4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]phenol.
What is the SMILES notation for 4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]phenol?
The canonical SMILES for 4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]phenol is Cn1cnc(S(=O)(=O)N2CCN(c3ccc(O)cc3)CC2)c1.
What is the InChIKey of 4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]phenol?
The InChIKey is ILHDHRDACKXOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-16-10-14(15-11-16)22(20,21)18-8-6-17(7-9-18)12-2-4-13(19)5-3-12/h2-5,10-11,19H,6-9H2,1H3.
What are the key properties of 4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]phenol?
4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]phenol has a molecular weight of 322.39 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]phenol is sourced from PubChem (CID 3071454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).