1-[4-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]ethanone

C10H15ClN4O3S — CID 35291049

IUPAC1-[4-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(S(=O)(=O)c2ncn(C)c2Cl)CC1
InChIInChI=1S/C10H15ClN4O3S/c1-8(16)14-3-5-15(6-4-14)19(17,18)10-9(11)13(2)7-12-10/h7H,3-6H2,1-2H3
InChIKeyMQUDDKHGYPMEAL-UHFFFAOYSA-N
MW306.78 g/mol
LogP-0.07
Rot. Bonds2

About 1-[4-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]ethanone

1-[4-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]ethanone (PubChem CID 35291049) has the molecular formula C10H15ClN4O3S and a molecular weight of 306.78 g/mol. Its IUPAC name is 1-[4-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]ethanone
PubChem CID35291049
Molecular FormulaC10H15ClN4O3S
Molecular Weight306.78 g/mol
Exact Mass306.06
IUPAC Name1-[4-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(S(=O)(=O)c2ncn(C)c2Cl)CC1
InChIInChI=1S/C10H15ClN4O3S/c1-8(16)14-3-5-15(6-4-14)19(17,18)10-9(11)13(2)7-12-10/h7H,3-6H2,1-2H3
InChIKeyMQUDDKHGYPMEAL-UHFFFAOYSA-N
XLogP-0.07
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.78
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]ethanone (CID 35291049) is 1-[4-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]ethanone is CC(=O)N1CCN(S(=O)(=O)c2ncn(C)c2Cl)CC1.
What is the InChIKey of 1-[4-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]ethanone?
The InChIKey is MQUDDKHGYPMEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O3S/c1-8(16)14-3-5-15(6-4-14)19(17,18)10-9(11)13(2)7-12-10/h7H,3-6H2,1-2H3.
What are the key properties of 1-[4-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]ethanone?
1-[4-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]ethanone has a molecular weight of 306.78 g/mol, XLogP of -0.07, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]ethanone is sourced from PubChem (CID 35291049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).