1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-propan-2-ylpiperazine

C11H19ClN4O2S — CID 43421729

IUPAC1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(S(=O)(=O)c2ncn(C)c2Cl)CC1
InChIInChI=1S/C11H19ClN4O2S/c1-9(2)15-4-6-16(7-5-15)19(17,18)11-10(12)14(3)8-13-11/h8-9H,4-7H2,1-3H3
InChIKeyBRQRTCPVUNYSSA-UHFFFAOYSA-N
MW306.82 g/mol
LogP0.79
Rot. Bonds3

About 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-propan-2-ylpiperazine

1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-propan-2-ylpiperazine (PubChem CID 43421729) has the molecular formula C11H19ClN4O2S and a molecular weight of 306.82 g/mol. Its IUPAC name is 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-propan-2-ylpiperazine
PubChem CID43421729
Molecular FormulaC11H19ClN4O2S
Molecular Weight306.82 g/mol
Exact Mass306.09
IUPAC Name1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(S(=O)(=O)c2ncn(C)c2Cl)CC1
InChIInChI=1S/C11H19ClN4O2S/c1-9(2)15-4-6-16(7-5-15)19(17,18)11-10(12)14(3)8-13-11/h8-9H,4-7H2,1-3H3
InChIKeyBRQRTCPVUNYSSA-UHFFFAOYSA-N
XLogP0.79
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-propan-2-ylpiperazine?
The IUPAC name of 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-propan-2-ylpiperazine (CID 43421729) is 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-propan-2-ylpiperazine?
The canonical SMILES for 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-propan-2-ylpiperazine is CC(C)N1CCN(S(=O)(=O)c2ncn(C)c2Cl)CC1.
What is the InChIKey of 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-propan-2-ylpiperazine?
The InChIKey is BRQRTCPVUNYSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4O2S/c1-9(2)15-4-6-16(7-5-15)19(17,18)11-10(12)14(3)8-13-11/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-propan-2-ylpiperazine?
1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-propan-2-ylpiperazine has a molecular weight of 306.82 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-propan-2-ylpiperazine is sourced from PubChem (CID 43421729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).