5-(4-chlorophenyl)sulfonyl-2-(3-methoxyphenyl)-4-methylsulfonyl-1H-imidazole

C17H15ClN2O5S2 — CID 167344340

IUPAC5-(4-chlorophenyl)sulfonyl-2-(3-methoxyphenyl)-4-methylsulfonyl-1H-imidazole
SMILESCOc1cccc(-c2nc(S(C)(=O)=O)c(S(=O)(=O)c3ccc(Cl)cc3)[nH]2)c1
InChIInChI=1S/C17H15ClN2O5S2/c1-25-13-5-3-4-11(10-13)15-19-16(26(2,21)22)17(20-15)27(23,24)14-8-6-12(18)7-9-14/h3-10H,1-2H3,(H,19,20)
InChIKeyDGWVBPOFLQSBPB-UHFFFAOYSA-N
MW426.90 g/mol
LogP2.97
Rot. Bonds5

About 5-(4-chlorophenyl)sulfonyl-2-(3-methoxyphenyl)-4-methylsulfonyl-1H-imidazole

5-(4-chlorophenyl)sulfonyl-2-(3-methoxyphenyl)-4-methylsulfonyl-1H-imidazole (PubChem CID 167344340) has the molecular formula C17H15ClN2O5S2 and a molecular weight of 426.90 g/mol. Its IUPAC name is 5-(4-chlorophenyl)sulfonyl-2-(3-methoxyphenyl)-4-methylsulfonyl-1H-imidazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)sulfonyl-2-(3-methoxyphenyl)-4-methylsulfonyl-1H-imidazole
PubChem CID167344340
Molecular FormulaC17H15ClN2O5S2
Molecular Weight426.90 g/mol
Exact Mass426.01
IUPAC Name5-(4-chlorophenyl)sulfonyl-2-(3-methoxyphenyl)-4-methylsulfonyl-1H-imidazole
SMILESCOc1cccc(-c2nc(S(C)(=O)=O)c(S(=O)(=O)c3ccc(Cl)cc3)[nH]2)c1
InChIInChI=1S/C17H15ClN2O5S2/c1-25-13-5-3-4-11(10-13)15-19-16(26(2,21)22)17(20-15)27(23,24)14-8-6-12(18)7-9-14/h3-10H,1-2H3,(H,19,20)
InChIKeyDGWVBPOFLQSBPB-UHFFFAOYSA-N
XLogP2.97
TPSA106.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 82308389
3-[2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]pyridine
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4-chloro-N-[3-[[4-[4-(3-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]propyl]benzenesulfonamide
CID 162668555
6-chloro-8-(3-methoxyphenyl)-7H-purine
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3-(3-methoxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one
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4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-N-(3-methoxyphenyl)-1,3-oxazol-5-amine
CID 18826456
1,3,5-trichloro-2-(3-methoxyphenyl)benzene
CID 57304526
4-chloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 819759
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CID 106475731
2-(3-methoxyphenyl)-3H-quinazolin-4-one
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CID 135704022

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)sulfonyl-2-(3-methoxyphenyl)-4-methylsulfonyl-1H-imidazole?
The IUPAC name of 5-(4-chlorophenyl)sulfonyl-2-(3-methoxyphenyl)-4-methylsulfonyl-1H-imidazole (CID 167344340) is 5-(4-chlorophenyl)sulfonyl-2-(3-methoxyphenyl)-4-methylsulfonyl-1H-imidazole.
What is the SMILES notation for 5-(4-chlorophenyl)sulfonyl-2-(3-methoxyphenyl)-4-methylsulfonyl-1H-imidazole?
The canonical SMILES for 5-(4-chlorophenyl)sulfonyl-2-(3-methoxyphenyl)-4-methylsulfonyl-1H-imidazole is COc1cccc(-c2nc(S(C)(=O)=O)c(S(=O)(=O)c3ccc(Cl)cc3)[nH]2)c1.
What is the InChIKey of 5-(4-chlorophenyl)sulfonyl-2-(3-methoxyphenyl)-4-methylsulfonyl-1H-imidazole?
The InChIKey is DGWVBPOFLQSBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O5S2/c1-25-13-5-3-4-11(10-13)15-19-16(26(2,21)22)17(20-15)27(23,24)14-8-6-12(18)7-9-14/h3-10H,1-2H3,(H,19,20).
What are the key properties of 5-(4-chlorophenyl)sulfonyl-2-(3-methoxyphenyl)-4-methylsulfonyl-1H-imidazole?
5-(4-chlorophenyl)sulfonyl-2-(3-methoxyphenyl)-4-methylsulfonyl-1H-imidazole has a molecular weight of 426.90 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)sulfonyl-2-(3-methoxyphenyl)-4-methylsulfonyl-1H-imidazole is sourced from PubChem (CID 167344340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).