1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpiperazine

C14H18N4O2S — CID 20958596

IUPAC1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpiperazine
SMILESCn1cnc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C14H18N4O2S/c1-16-11-14(15-12-16)21(19,20)18-9-7-17(8-10-18)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3
InChIKeyQXTAUQLCVJMVII-UHFFFAOYSA-N
MW306.39 g/mol
LogP0.93
Rot. Bonds3

About 1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpiperazine

1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpiperazine (PubChem CID 20958596) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpiperazine.

Molecular Properties

Compound Name1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpiperazine
PubChem CID20958596
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpiperazine
SMILESCn1cnc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C14H18N4O2S/c1-16-11-14(15-12-16)21(19,20)18-9-7-17(8-10-18)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3
InChIKeyQXTAUQLCVJMVII-UHFFFAOYSA-N
XLogP0.93
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-(2-morpholinophenyl)-1H-imidazole-4-sulfonamide
CID 2813425
1-(1H-imidazol-5-ylsulfonyl)-4-phenylpiperazine
CID 11957294
N-benzyl-N,1-dimethyl-1H-imidazole-4-sulfonamide
CID 2814463
1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]indoline
CID 3237010
1-[3-(Dimethylsulfamoyl)phenyl]-3-(3-imidazol-1-ylpropyl)thiourea
CID 3968679
N-methyl-1-(1-methylimidazol-4-yl)sulfonyl-N-(4-methylphenyl)piperidine-4-carboxamide
CID 16028043
1-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]-4-(2,3-dimethylphenyl)piperazine
CID 16029201
1-(2,3-dimethylphenyl)-4-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperazine
CID 20958601
(3R,5S)-1-benzyl-3,5-dimethyl-4-(1-methylimidazol-4-yl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine
CID 134140468
1-(4-fluorophenyl)-4-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperazine
CID 2812668
1-(4-fluorophenyl)-4-(1H-imidazol-4-ylsulfonyl)piperazine
CID 16195463
1-methyl-N-[3-(methylsulfanyl)phenyl]-1H-imidazole-4-sulfonamide
CID 20958612

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpiperazine?
The IUPAC name of 1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpiperazine (CID 20958596) is 1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpiperazine.
What is the SMILES notation for 1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpiperazine?
The canonical SMILES for 1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpiperazine is Cn1cnc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of 1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpiperazine?
The InChIKey is QXTAUQLCVJMVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-16-11-14(15-12-16)21(19,20)18-9-7-17(8-10-18)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3.
What are the key properties of 1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpiperazine?
1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpiperazine has a molecular weight of 306.39 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpiperazine is sourced from PubChem (CID 20958596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).