1-(3-imidazol-1-ylpropyl)-4-(4-methylphenyl)sulfonylpiperazine

C17H24N4O2S — CID 14278715

IUPAC1-(3-imidazol-1-ylpropyl)-4-(4-methylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(CCCn3ccnc3)CC2)cc1
InChIInChI=1S/C17H24N4O2S/c1-16-3-5-17(6-4-16)24(22,23)21-13-11-19(12-14-21)8-2-9-20-10-7-18-15-20/h3-7,10,15H,2,8-9,11-14H2,1H3
InChIKeyCPOXWCNXDHFHDA-UHFFFAOYSA-N
MW348.47 g/mol
LogP1.59
Rot. Bonds6

About 1-(3-imidazol-1-ylpropyl)-4-(4-methylphenyl)sulfonylpiperazine

1-(3-imidazol-1-ylpropyl)-4-(4-methylphenyl)sulfonylpiperazine (PubChem CID 14278715) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 1-(3-imidazol-1-ylpropyl)-4-(4-methylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(3-imidazol-1-ylpropyl)-4-(4-methylphenyl)sulfonylpiperazine
PubChem CID14278715
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name1-(3-imidazol-1-ylpropyl)-4-(4-methylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(CCCn3ccnc3)CC2)cc1
InChIInChI=1S/C17H24N4O2S/c1-16-3-5-17(6-4-16)24(22,23)21-13-11-19(12-14-21)8-2-9-20-10-7-18-15-20/h3-7,10,15H,2,8-9,11-14H2,1H3
InChIKeyCPOXWCNXDHFHDA-UHFFFAOYSA-N
XLogP1.59
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 75219
CID 75219
CID 588101
CID 588101
CID 521274
CID 521274
CID 2992689
CID 2992689
CID 6493524
CID 6493524
CID 645505
CID 645505
CID 2814463
CID 2814463
CID 10636633
CID 10636633
CID 99556
CID 99556
CID 794420
CID 794420
CID 4784720
CID 4784720
CID 4881938
CID 4881938

Frequently Asked Questions

What is the IUPAC name of 1-(3-imidazol-1-ylpropyl)-4-(4-methylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(3-imidazol-1-ylpropyl)-4-(4-methylphenyl)sulfonylpiperazine (CID 14278715) is 1-(3-imidazol-1-ylpropyl)-4-(4-methylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(3-imidazol-1-ylpropyl)-4-(4-methylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(3-imidazol-1-ylpropyl)-4-(4-methylphenyl)sulfonylpiperazine is Cc1ccc(S(=O)(=O)N2CCN(CCCn3ccnc3)CC2)cc1.
What is the InChIKey of 1-(3-imidazol-1-ylpropyl)-4-(4-methylphenyl)sulfonylpiperazine?
The InChIKey is CPOXWCNXDHFHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-16-3-5-17(6-4-16)24(22,23)21-13-11-19(12-14-21)8-2-9-20-10-7-18-15-20/h3-7,10,15H,2,8-9,11-14H2,1H3.
What are the key properties of 1-(3-imidazol-1-ylpropyl)-4-(4-methylphenyl)sulfonylpiperazine?
1-(3-imidazol-1-ylpropyl)-4-(4-methylphenyl)sulfonylpiperazine has a molecular weight of 348.47 g/mol, XLogP of 1.59, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-imidazol-1-ylpropyl)-4-(4-methylphenyl)sulfonylpiperazine is sourced from PubChem (CID 14278715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).