2-[1-(2-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-1H-imidazole

C14H16ClN3O2S — CID 75453072

IUPAC2-[1-(2-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-1H-imidazole
SMILESCc1ccc(S(=O)(=O)N2CCCC2c2ncc[nH]2)c(Cl)c1
InChIInChI=1S/C14H16ClN3O2S/c1-10-4-5-13(11(15)9-10)21(19,20)18-8-2-3-12(18)14-16-6-7-17-14/h4-7,9,12H,2-3,8H2,1H3,(H,16,17)
InChIKeyCCXDNUCBYZFCJX-UHFFFAOYSA-N
MW325.82 g/mol
LogP2.90
Rot. Bonds3

About 2-[1-(2-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-1H-imidazole

2-[1-(2-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-1H-imidazole (PubChem CID 75453072) has the molecular formula C14H16ClN3O2S and a molecular weight of 325.82 g/mol. Its IUPAC name is 2-[1-(2-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-1H-imidazole.

Molecular Properties

Compound Name2-[1-(2-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-1H-imidazole
PubChem CID75453072
Molecular FormulaC14H16ClN3O2S
Molecular Weight325.82 g/mol
Exact Mass325.07
IUPAC Name2-[1-(2-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-1H-imidazole
SMILESCc1ccc(S(=O)(=O)N2CCCC2c2ncc[nH]2)c(Cl)c1
InChIInChI=1S/C14H16ClN3O2S/c1-10-4-5-13(11(15)9-10)21(19,20)18-8-2-3-12(18)14-16-6-7-17-14/h4-7,9,12H,2-3,8H2,1H3,(H,16,17)
InChIKeyCCXDNUCBYZFCJX-UHFFFAOYSA-N
XLogP2.90
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-1H-imidazole?
The IUPAC name of 2-[1-(2-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-1H-imidazole (CID 75453072) is 2-[1-(2-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-1H-imidazole.
What is the SMILES notation for 2-[1-(2-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-1H-imidazole?
The canonical SMILES for 2-[1-(2-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-1H-imidazole is Cc1ccc(S(=O)(=O)N2CCCC2c2ncc[nH]2)c(Cl)c1.
What is the InChIKey of 2-[1-(2-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-1H-imidazole?
The InChIKey is CCXDNUCBYZFCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S/c1-10-4-5-13(11(15)9-10)21(19,20)18-8-2-3-12(18)14-16-6-7-17-14/h4-7,9,12H,2-3,8H2,1H3,(H,16,17).
What are the key properties of 2-[1-(2-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-1H-imidazole?
2-[1-(2-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-1H-imidazole has a molecular weight of 325.82 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-1H-imidazole is sourced from PubChem (CID 75453072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).