1-(4-chlorophenyl)sulfonyl-4-(3-imidazol-1-ylpropyl)piperazine

C16H21ClN4O2S — CID 14278723

IUPAC1-(4-chlorophenyl)sulfonyl-4-(3-imidazol-1-ylpropyl)piperazine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCN(CCCn2ccnc2)CC1
InChIInChI=1S/C16H21ClN4O2S/c17-15-2-4-16(5-3-15)24(22,23)21-12-10-19(11-13-21)7-1-8-20-9-6-18-14-20/h2-6,9,14H,1,7-8,10-13H2
InChIKeyOWLDODHRCVILSF-UHFFFAOYSA-N
MW368.89 g/mol
LogP1.93
Rot. Bonds6

About 1-(4-chlorophenyl)sulfonyl-4-(3-imidazol-1-ylpropyl)piperazine

1-(4-chlorophenyl)sulfonyl-4-(3-imidazol-1-ylpropyl)piperazine (PubChem CID 14278723) has the molecular formula C16H21ClN4O2S and a molecular weight of 368.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-4-(3-imidazol-1-ylpropyl)piperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-4-(3-imidazol-1-ylpropyl)piperazine
PubChem CID14278723
Molecular FormulaC16H21ClN4O2S
Molecular Weight368.89 g/mol
Exact Mass368.11
IUPAC Name1-(4-chlorophenyl)sulfonyl-4-(3-imidazol-1-ylpropyl)piperazine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCN(CCCn2ccnc2)CC1
InChIInChI=1S/C16H21ClN4O2S/c17-15-2-4-16(5-3-15)24(22,23)21-12-10-19(11-13-21)7-1-8-20-9-6-18-14-20/h2-6,9,14H,1,7-8,10-13H2
InChIKeyOWLDODHRCVILSF-UHFFFAOYSA-N
XLogP1.93
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.89
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-(3-imidazol-1-ylpropyl)piperazine?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-(3-imidazol-1-ylpropyl)piperazine (CID 14278723) is 1-(4-chlorophenyl)sulfonyl-4-(3-imidazol-1-ylpropyl)piperazine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-4-(3-imidazol-1-ylpropyl)piperazine?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-4-(3-imidazol-1-ylpropyl)piperazine is O=S(=O)(c1ccc(Cl)cc1)N1CCN(CCCn2ccnc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-4-(3-imidazol-1-ylpropyl)piperazine?
The InChIKey is OWLDODHRCVILSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O2S/c17-15-2-4-16(5-3-15)24(22,23)21-12-10-19(11-13-21)7-1-8-20-9-6-18-14-20/h2-6,9,14H,1,7-8,10-13H2.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-4-(3-imidazol-1-ylpropyl)piperazine?
1-(4-chlorophenyl)sulfonyl-4-(3-imidazol-1-ylpropyl)piperazine has a molecular weight of 368.89 g/mol, XLogP of 1.93, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-4-(3-imidazol-1-ylpropyl)piperazine is sourced from PubChem (CID 14278723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).