1-(3-methoxyphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine

C15H20N4O3S — CID 20958595

IUPAC1-(3-methoxyphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine
SMILESCOc1cccc(N2CCN(S(=O)(=O)c3cn(C)cn3)CC2)c1
InChIInChI=1S/C15H20N4O3S/c1-17-11-15(16-12-17)23(20,21)19-8-6-18(7-9-19)13-4-3-5-14(10-13)22-2/h3-5,10-12H,6-9H2,1-2H3
InChIKeyVLCIGWZSDUOATI-UHFFFAOYSA-N
MW336.42 g/mol
LogP0.94
Rot. Bonds4

About 1-(3-methoxyphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine

1-(3-methoxyphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine (PubChem CID 20958595) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine
PubChem CID20958595
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name1-(3-methoxyphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine
SMILESCOc1cccc(N2CCN(S(=O)(=O)c3cn(C)cn3)CC2)c1
InChIInChI=1S/C15H20N4O3S/c1-17-11-15(16-12-17)23(20,21)19-8-6-18(7-9-19)13-4-3-5-14(10-13)22-2/h3-5,10-12H,6-9H2,1-2H3
InChIKeyVLCIGWZSDUOATI-UHFFFAOYSA-N
XLogP0.94
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(1H-imidazol-1-yl)propyl]-3-(3-methoxyphenyl)thiourea
CID 2910461
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-dimethyl-1H-imidazole-4-sulfonamide
CID 2810645
N-[4-(difluoromethoxy)phenyl]-1-methyl-1H-imidazole-4-sulfonamide
CID 2815194
1-methyl-N-[4-(trifluoromethoxy)phenyl]imidazole-4-sulfonamide
CID 2821584
N-(2-methoxyphenyl)-1-methyl-1H-imidazole-4-sulfonamide
CID 20958632
Sulfamic acid 2-[3-(1H-imidazol-1-yl)phenoxy]ethyl ester monohydrochloride
CID 45265221
2-[3-(2-Methylimidazol-1-yl)phenoxy]ethyl sulfamate;hydrochloride
CID 45265627
(3R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-[(2R)-oxan-2-yl]-N-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine
CID 90405129
(3R,4S)-4-(1,3-dioxan-2-yl)-1-(1-methylimidazol-4-yl)sulfonyl-N-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine
CID 90405488
1-(1H-imidazol-5-ylsulfonyl)-4-(2-methoxyphenyl)piperazine
CID 5309722
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-1-methylimidazole-4-sulfonamide
CID 10808841
N-(2-methoxyphenyl)-1,2-dimethyl-1H-imidazole-4-sulfonamide
CID 16029227

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine?
The IUPAC name of 1-(3-methoxyphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine (CID 20958595) is 1-(3-methoxyphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine.
What is the SMILES notation for 1-(3-methoxyphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine?
The canonical SMILES for 1-(3-methoxyphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine is COc1cccc(N2CCN(S(=O)(=O)c3cn(C)cn3)CC2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine?
The InChIKey is VLCIGWZSDUOATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-17-11-15(16-12-17)23(20,21)19-8-6-18(7-9-19)13-4-3-5-14(10-13)22-2/h3-5,10-12H,6-9H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine?
1-(3-methoxyphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine has a molecular weight of 336.42 g/mol, XLogP of 0.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine is sourced from PubChem (CID 20958595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).