1-(4-ethoxyphenyl)sulfonyl-4-(2-imidazol-1-ylethyl)piperazine

C17H24N4O3S — CID 90533570

IUPAC1-(4-ethoxyphenyl)sulfonyl-4-(2-imidazol-1-ylethyl)piperazine
SMILESCCOc1ccc(S(=O)(=O)N2CCN(CCn3ccnc3)CC2)cc1
InChIInChI=1S/C17H24N4O3S/c1-2-24-16-3-5-17(6-4-16)25(22,23)21-13-11-19(12-14-21)9-10-20-8-7-18-15-20/h3-8,15H,2,9-14H2,1H3
InChIKeyKDUSKBHULDRUOB-UHFFFAOYSA-N
MW364.47 g/mol
LogP1.29
Rot. Bonds7

About 1-(4-ethoxyphenyl)sulfonyl-4-(2-imidazol-1-ylethyl)piperazine

1-(4-ethoxyphenyl)sulfonyl-4-(2-imidazol-1-ylethyl)piperazine (PubChem CID 90533570) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)sulfonyl-4-(2-imidazol-1-ylethyl)piperazine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)sulfonyl-4-(2-imidazol-1-ylethyl)piperazine
PubChem CID90533570
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC Name1-(4-ethoxyphenyl)sulfonyl-4-(2-imidazol-1-ylethyl)piperazine
SMILESCCOc1ccc(S(=O)(=O)N2CCN(CCn3ccnc3)CC2)cc1
InChIInChI=1S/C17H24N4O3S/c1-2-24-16-3-5-17(6-4-16)25(22,23)21-13-11-19(12-14-21)9-10-20-8-7-18-15-20/h3-8,15H,2,9-14H2,1H3
InChIKeyKDUSKBHULDRUOB-UHFFFAOYSA-N
XLogP1.29
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-imidazol-1-ylethyl)-4-(4-methoxyphenyl)sulfonylpiperazine
CID 90533550
1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperazine
CID 2448017
4-(imidazol-1-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine
CID 71781099
1-(cyclopropylmethyl)-4-(4-ethoxyphenyl)sulfonyl-1,4-diazepane
CID 95751370
1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-(2-imidazol-1-ylethyl)piperazine
CID 71788615
N-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-4-methylbenzenesulfonamide
CID 4830106
1-(4-ethoxyphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
CID 38253871
1-tert-butyl-4-(4-ethoxyphenyl)sulfonylpiperazine
CID 113074890
3-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-2-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 20955853
1-(4-chlorophenyl)-3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 2125400
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-ethoxybenzenesulfonamide
CID 21372462
1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 78780224

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)sulfonyl-4-(2-imidazol-1-ylethyl)piperazine?
The IUPAC name of 1-(4-ethoxyphenyl)sulfonyl-4-(2-imidazol-1-ylethyl)piperazine (CID 90533570) is 1-(4-ethoxyphenyl)sulfonyl-4-(2-imidazol-1-ylethyl)piperazine.
What is the SMILES notation for 1-(4-ethoxyphenyl)sulfonyl-4-(2-imidazol-1-ylethyl)piperazine?
The canonical SMILES for 1-(4-ethoxyphenyl)sulfonyl-4-(2-imidazol-1-ylethyl)piperazine is CCOc1ccc(S(=O)(=O)N2CCN(CCn3ccnc3)CC2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)sulfonyl-4-(2-imidazol-1-ylethyl)piperazine?
The InChIKey is KDUSKBHULDRUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-2-24-16-3-5-17(6-4-16)25(22,23)21-13-11-19(12-14-21)9-10-20-8-7-18-15-20/h3-8,15H,2,9-14H2,1H3.
What are the key properties of 1-(4-ethoxyphenyl)sulfonyl-4-(2-imidazol-1-ylethyl)piperazine?
1-(4-ethoxyphenyl)sulfonyl-4-(2-imidazol-1-ylethyl)piperazine has a molecular weight of 364.47 g/mol, XLogP of 1.29, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)sulfonyl-4-(2-imidazol-1-ylethyl)piperazine is sourced from PubChem (CID 90533570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).