1-(5-chloro-2-methylphenyl)-4-(1H-imidazol-5-ylsulfonyl)piperazine

C14H17ClN4O2S — CID 5307520

IUPAC1-(5-chloro-2-methylphenyl)-4-(1H-imidazol-5-ylsulfonyl)piperazine
SMILESCc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2cnc[nH]2)CC1
InChIInChI=1S/C14H17ClN4O2S/c1-11-2-3-12(15)8-13(11)18-4-6-19(7-5-18)22(20,21)14-9-16-10-17-14/h2-3,8-10H,4-7H2,1H3,(H,16,17)
InChIKeyFWUPWBJHMSKKIU-UHFFFAOYSA-N
MW340.84 g/mol
LogP1.88
Rot. Bonds3

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

1-(5-chloro-2-methylphenyl)-4-(1H-imidazol-5-ylsulfonyl)piperazine (PubChem CID 5307520) has the molecular formula C14H17ClN4O2S and a molecular weight of 340.84 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-4-(1H-imidazol-5-ylsulfonyl)piperazine.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-4-(1H-imidazol-5-ylsulfonyl)piperazine
PubChem CID5307520
Molecular FormulaC14H17ClN4O2S
Molecular Weight340.84 g/mol
Exact Mass340.08
IUPAC Name1-(5-chloro-2-methylphenyl)-4-(1H-imidazol-5-ylsulfonyl)piperazine
SMILESCc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2cnc[nH]2)CC1
InChIInChI=1S/C14H17ClN4O2S/c1-11-2-3-12(15)8-13(11)18-4-6-19(7-5-18)22(20,21)14-9-16-10-17-14/h2-3,8-10H,4-7H2,1H3,(H,16,17)
InChIKeyFWUPWBJHMSKKIU-UHFFFAOYSA-N
XLogP1.88
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.84
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-4-(1H-imidazol-5-ylsulfonyl)piperazine?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-4-(1H-imidazol-5-ylsulfonyl)piperazine (CID 5307520) is 1-(5-chloro-2-methylphenyl)-4-(1H-imidazol-5-ylsulfonyl)piperazine.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-4-(1H-imidazol-5-ylsulfonyl)piperazine?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-4-(1H-imidazol-5-ylsulfonyl)piperazine is Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2cnc[nH]2)CC1.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-4-(1H-imidazol-5-ylsulfonyl)piperazine?
The InChIKey is FWUPWBJHMSKKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2S/c1-11-2-3-12(15)8-13(11)18-4-6-19(7-5-18)22(20,21)14-9-16-10-17-14/h2-3,8-10H,4-7H2,1H3,(H,16,17).
What are the key properties of 1-(5-chloro-2-methylphenyl)-4-(1H-imidazol-5-ylsulfonyl)piperazine?
1-(5-chloro-2-methylphenyl)-4-(1H-imidazol-5-ylsulfonyl)piperazine has a molecular weight of 340.84 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-4-(1H-imidazol-5-ylsulfonyl)piperazine is sourced from PubChem (CID 5307520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).