3-[1-[6-(4-chlorophenyl)-4-methyl-2-pyridinyl]imidazol-4-yl]benzenesulfonamide

C21H17ClN4O2S — CID 57469137

IUPAC3-[1-[6-(4-chlorophenyl)-4-methyl-2-pyridinyl]imidazol-4-yl]benzenesulfonamide
SMILESCc1cc(-c2ccc(Cl)cc2)nc(-n2cnc(-c3cccc(S(N)(=O)=O)c3)c2)c1
InChIInChI=1S/C21H17ClN4O2S/c1-14-9-19(15-5-7-17(22)8-6-15)25-21(10-14)26-12-20(24-13-26)16-3-2-4-18(11-16)29(23,27)28/h2-13H,1H3,(H2,23,27,28)
InChIKeyWCIXKGRVGFJERG-UHFFFAOYSA-N
MW424.91 g/mol
LogP4.21
Rot. Bonds4

About 3-[1-[6-(4-chlorophenyl)-4-methyl-2-pyridinyl]imidazol-4-yl]benzenesulfonamide

3-[1-[6-(4-chlorophenyl)-4-methyl-2-pyridinyl]imidazol-4-yl]benzenesulfonamide (PubChem CID 57469137) has the molecular formula C21H17ClN4O2S and a molecular weight of 424.91 g/mol. Its IUPAC name is 3-[1-[6-(4-chlorophenyl)-4-methyl-2-pyridinyl]imidazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-[1-[6-(4-chlorophenyl)-4-methyl-2-pyridinyl]imidazol-4-yl]benzenesulfonamide
PubChem CID57469137
Molecular FormulaC21H17ClN4O2S
Molecular Weight424.91 g/mol
Exact Mass424.08
IUPAC Name3-[1-[6-(4-chlorophenyl)-4-methyl-2-pyridinyl]imidazol-4-yl]benzenesulfonamide
SMILESCc1cc(-c2ccc(Cl)cc2)nc(-n2cnc(-c3cccc(S(N)(=O)=O)c3)c2)c1
InChIInChI=1S/C21H17ClN4O2S/c1-14-9-19(15-5-7-17(22)8-6-15)25-21(10-14)26-12-20(24-13-26)16-3-2-4-18(11-16)29(23,27)28/h2-13H,1H3,(H2,23,27,28)
InChIKeyWCIXKGRVGFJERG-UHFFFAOYSA-N
XLogP4.21
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.91
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[6-(4-chlorophenyl)-4-methyl-2-pyridinyl]imidazol-4-yl]benzenesulfonamide?
The IUPAC name of 3-[1-[6-(4-chlorophenyl)-4-methyl-2-pyridinyl]imidazol-4-yl]benzenesulfonamide (CID 57469137) is 3-[1-[6-(4-chlorophenyl)-4-methyl-2-pyridinyl]imidazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 3-[1-[6-(4-chlorophenyl)-4-methyl-2-pyridinyl]imidazol-4-yl]benzenesulfonamide?
The canonical SMILES for 3-[1-[6-(4-chlorophenyl)-4-methyl-2-pyridinyl]imidazol-4-yl]benzenesulfonamide is Cc1cc(-c2ccc(Cl)cc2)nc(-n2cnc(-c3cccc(S(N)(=O)=O)c3)c2)c1.
What is the InChIKey of 3-[1-[6-(4-chlorophenyl)-4-methyl-2-pyridinyl]imidazol-4-yl]benzenesulfonamide?
The InChIKey is WCIXKGRVGFJERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O2S/c1-14-9-19(15-5-7-17(22)8-6-15)25-21(10-14)26-12-20(24-13-26)16-3-2-4-18(11-16)29(23,27)28/h2-13H,1H3,(H2,23,27,28).
What are the key properties of 3-[1-[6-(4-chlorophenyl)-4-methyl-2-pyridinyl]imidazol-4-yl]benzenesulfonamide?
3-[1-[6-(4-chlorophenyl)-4-methyl-2-pyridinyl]imidazol-4-yl]benzenesulfonamide has a molecular weight of 424.91 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[6-(4-chlorophenyl)-4-methyl-2-pyridinyl]imidazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 57469137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).