1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-(2-imidazol-1-ylethyl)piperazine

C16H21FN4O3S — CID 71788611

IUPAC1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-(2-imidazol-1-ylethyl)piperazine
SMILESCOc1ccc(F)cc1S(=O)(=O)N1CCN(CCn2ccnc2)CC1
InChIInChI=1S/C16H21FN4O3S/c1-24-15-3-2-14(17)12-16(15)25(22,23)21-10-8-19(9-11-21)6-7-20-5-4-18-13-20/h2-5,12-13H,6-11H2,1H3
InChIKeySOTBDBXRAUAXLV-UHFFFAOYSA-N
MW368.43 g/mol
LogP1.04
Rot. Bonds6

About 1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-(2-imidazol-1-ylethyl)piperazine

1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-(2-imidazol-1-ylethyl)piperazine (PubChem CID 71788611) has the molecular formula C16H21FN4O3S and a molecular weight of 368.43 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-(2-imidazol-1-ylethyl)piperazine.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-(2-imidazol-1-ylethyl)piperazine
PubChem CID71788611
Molecular FormulaC16H21FN4O3S
Molecular Weight368.43 g/mol
Exact Mass368.13
IUPAC Name1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-(2-imidazol-1-ylethyl)piperazine
SMILESCOc1ccc(F)cc1S(=O)(=O)N1CCN(CCn2ccnc2)CC1
InChIInChI=1S/C16H21FN4O3S/c1-24-15-3-2-14(17)12-16(15)25(22,23)21-10-8-19(9-11-21)6-7-20-5-4-18-13-20/h2-5,12-13H,6-11H2,1H3
InChIKeySOTBDBXRAUAXLV-UHFFFAOYSA-N
XLogP1.04
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-(2-imidazol-1-ylethyl)piperazine?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-(2-imidazol-1-ylethyl)piperazine (CID 71788611) is 1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-(2-imidazol-1-ylethyl)piperazine.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-(2-imidazol-1-ylethyl)piperazine?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-(2-imidazol-1-ylethyl)piperazine is COc1ccc(F)cc1S(=O)(=O)N1CCN(CCn2ccnc2)CC1.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-(2-imidazol-1-ylethyl)piperazine?
The InChIKey is SOTBDBXRAUAXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O3S/c1-24-15-3-2-14(17)12-16(15)25(22,23)21-10-8-19(9-11-21)6-7-20-5-4-18-13-20/h2-5,12-13H,6-11H2,1H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-(2-imidazol-1-ylethyl)piperazine?
1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-(2-imidazol-1-ylethyl)piperazine has a molecular weight of 368.43 g/mol, XLogP of 1.04, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-(2-imidazol-1-ylethyl)piperazine is sourced from PubChem (CID 71788611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).