1-(1H-imidazol-5-ylsulfonyl)-4-phenylpiperazine

C13H16N4O2S — CID 11957294

IUPAC1-(1H-imidazol-5-ylsulfonyl)-4-phenylpiperazine
SMILESO=S(=O)(c1cnc[nH]1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C13H16N4O2S/c18-20(19,13-10-14-11-15-13)17-8-6-16(7-9-17)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2,(H,14,15)
InChIKeyNSUHUIMPNRQCTM-UHFFFAOYSA-N
MW292.36 g/mol
LogP0.92
Rot. Bonds3

About 1-(1H-imidazol-5-ylsulfonyl)-4-phenylpiperazine

1-(1H-imidazol-5-ylsulfonyl)-4-phenylpiperazine (PubChem CID 11957294) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 1-(1H-imidazol-5-ylsulfonyl)-4-phenylpiperazine.

Molecular Properties

Compound Name1-(1H-imidazol-5-ylsulfonyl)-4-phenylpiperazine
PubChem CID11957294
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name1-(1H-imidazol-5-ylsulfonyl)-4-phenylpiperazine
SMILESO=S(=O)(c1cnc[nH]1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C13H16N4O2S/c18-20(19,13-10-14-11-15-13)17-8-6-16(7-9-17)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2,(H,14,15)
InChIKeyNSUHUIMPNRQCTM-UHFFFAOYSA-N
XLogP0.92
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-{[(1H-imidazol-2-yl)methylidene]amino}benzene-1-sulfonamide
CID 135411191
N-(2,4-dimethylpentan-3-yl)-N-(1H-imidazol-5-ylmethyl)-4-(pentan-3-ylamino)benzenesulfonamide
CID 44325020
1-methyl-N-(2-morpholinophenyl)-1H-imidazole-4-sulfonamide
CID 2813425
1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-4-phenylpiperazine
CID 20958596
1-(5-Chloro-2-methylphenyl)-4-(1H-imidazole-4-sulfonyl)piperazine
CID 5307520
4-amino-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 4130652
4-{4-[Benzenesulfonyl-(3H-imidazol-4-ylmethyl)-amino]-phenyl}-piperazine-1-carbothioic acid isobutyl-amide
CID 10185976
4-{4-[Benzenesulfonyl-(3H-imidazol-4-ylmethyl)-amino]-phenyl}-piperazine-1-carbothioic acid cyclohexylamide
CID 10280400
4-[4-[benzenesulfonyl(1H-imidazol-5-ylmethyl)amino]phenyl]-N-phenylpiperazine-1-carbothioamide
CID 44282708
4-[4-[benzenesulfonyl(1H-imidazol-5-ylmethyl)amino]phenyl]-N-phenylpiperazine-1-carboxamide
CID 44282727
1-(1H-imidazol-4-ylsulfonyl)indoline
CID 3238261
N~2~-(1H-imidazol-4-ylsulfonyl)-N~2~-methyl-N~1~-(3-methylphenyl)glycinamide
CID 3238708

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)-4-phenylpiperazine?
The IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)-4-phenylpiperazine (CID 11957294) is 1-(1H-imidazol-5-ylsulfonyl)-4-phenylpiperazine.
What is the SMILES notation for 1-(1H-imidazol-5-ylsulfonyl)-4-phenylpiperazine?
The canonical SMILES for 1-(1H-imidazol-5-ylsulfonyl)-4-phenylpiperazine is O=S(=O)(c1cnc[nH]1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-(1H-imidazol-5-ylsulfonyl)-4-phenylpiperazine?
The InChIKey is NSUHUIMPNRQCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c18-20(19,13-10-14-11-15-13)17-8-6-16(7-9-17)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2,(H,14,15).
What are the key properties of 1-(1H-imidazol-5-ylsulfonyl)-4-phenylpiperazine?
1-(1H-imidazol-5-ylsulfonyl)-4-phenylpiperazine has a molecular weight of 292.36 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-ylsulfonyl)-4-phenylpiperazine is sourced from PubChem (CID 11957294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).