1-(1H-imidazol-5-ylsulfonyl)-4-(2-methoxyphenyl)piperazine

C14H18N4O3S — CID 5309722

IUPAC1-(1H-imidazol-5-ylsulfonyl)-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(S(=O)(=O)c2cnc[nH]2)CC1
InChIInChI=1S/C14H18N4O3S/c1-21-13-5-3-2-4-12(13)17-6-8-18(9-7-17)22(19,20)14-10-15-11-16-14/h2-5,10-11H,6-9H2,1H3,(H,15,16)
InChIKeyUZGWKKCMWXKFPE-UHFFFAOYSA-N
MW322.39 g/mol
LogP0.93
Rot. Bonds4

About 1-(1H-imidazol-5-ylsulfonyl)-4-(2-methoxyphenyl)piperazine

1-(1H-imidazol-5-ylsulfonyl)-4-(2-methoxyphenyl)piperazine (PubChem CID 5309722) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is 1-(1H-imidazol-5-ylsulfonyl)-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-(1H-imidazol-5-ylsulfonyl)-4-(2-methoxyphenyl)piperazine
PubChem CID5309722
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Name1-(1H-imidazol-5-ylsulfonyl)-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(S(=O)(=O)c2cnc[nH]2)CC1
InChIInChI=1S/C14H18N4O3S/c1-21-13-5-3-2-4-12(13)17-6-8-18(9-7-17)22(19,20)14-10-15-11-16-14/h2-5,10-11H,6-9H2,1H3,(H,15,16)
InChIKeyUZGWKKCMWXKFPE-UHFFFAOYSA-N
XLogP0.93
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Methoxyphenyl)-4-[4-(2-methylsulfanylimidazol-1-yl)butyl]piperazine
CID 11222149
N-(4-ethoxyphenyl)-N-methyl-1H-imidazole-5-sulfonamide
CID 20938153
N-(2-methoxyphenyl)-1-methyl-1H-imidazole-4-sulfonamide
CID 20958632
N~1~-(2,5-diethoxyphenyl)-N~2~-(1H-imidazol-4-ylsulfonyl)-N~2~-methylglycinamide
CID 3236865
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 4878953
1-(1H-imidazol-5-ylsulfonyl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]piperidine-3-carboxamide
CID 5307441
1-(1H-imidazol-5-ylsulfonyl)-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 5307461
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-methyl-1H-imidazole-5-sulfonamide
CID 9551091
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-1-methylimidazole-4-sulfonamide
CID 10808841
[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 16020407
N-(2-methoxyphenyl)-1,2-dimethyl-1H-imidazole-4-sulfonamide
CID 16029227
1-(3-methoxyphenyl)-4-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperazine
CID 20958595

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)-4-(2-methoxyphenyl)piperazine (CID 5309722) is 1-(1H-imidazol-5-ylsulfonyl)-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-(1H-imidazol-5-ylsulfonyl)-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-(1H-imidazol-5-ylsulfonyl)-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(S(=O)(=O)c2cnc[nH]2)CC1.
What is the InChIKey of 1-(1H-imidazol-5-ylsulfonyl)-4-(2-methoxyphenyl)piperazine?
The InChIKey is UZGWKKCMWXKFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-21-13-5-3-2-4-12(13)17-6-8-18(9-7-17)22(19,20)14-10-15-11-16-14/h2-5,10-11H,6-9H2,1H3,(H,15,16).
What are the key properties of 1-(1H-imidazol-5-ylsulfonyl)-4-(2-methoxyphenyl)piperazine?
1-(1H-imidazol-5-ylsulfonyl)-4-(2-methoxyphenyl)piperazine has a molecular weight of 322.39 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-ylsulfonyl)-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 5309722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).