1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-methyl-2-phenylimidazole

C18H17ClN2O4S — CID 5303804

IUPAC1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-methyl-2-phenylimidazole
SMILESCOc1cc(S(=O)(=O)n2cc(C)nc2-c2ccccc2)c(OC)cc1Cl
InChIInChI=1S/C18H17ClN2O4S/c1-12-11-21(18(20-12)13-7-5-4-6-8-13)26(22,23)17-10-15(24-2)14(19)9-16(17)25-3/h4-11H,1-3H3
InChIKeyFWSCODRNSJLXIA-UHFFFAOYSA-N
MW392.86 g/mol
LogP3.77
Rot. Bonds5

About 1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-methyl-2-phenylimidazole

1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-methyl-2-phenylimidazole (PubChem CID 5303804) has the molecular formula C18H17ClN2O4S and a molecular weight of 392.86 g/mol. Its IUPAC name is 1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-methyl-2-phenylimidazole.

Molecular Properties

Compound Name1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-methyl-2-phenylimidazole
PubChem CID5303804
Molecular FormulaC18H17ClN2O4S
Molecular Weight392.86 g/mol
Exact Mass392.06
IUPAC Name1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-methyl-2-phenylimidazole
SMILESCOc1cc(S(=O)(=O)n2cc(C)nc2-c2ccccc2)c(OC)cc1Cl
InChIInChI=1S/C18H17ClN2O4S/c1-12-11-21(18(20-12)13-7-5-4-6-8-13)26(22,23)17-10-15(24-2)14(19)9-16(17)25-3/h4-11H,1-3H3
InChIKeyFWSCODRNSJLXIA-UHFFFAOYSA-N
XLogP3.77
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.86
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-chloro-2,5-dimethoxyphenyl)sulfonylmorpholine
CID 760766
1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-(3,4-dichlorophenyl)piperazine
CID 1303338
1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-(3-chloro-4-methylphenyl)piperazine
CID 16644819
1-(5-bromo-2-methoxyphenyl)sulfonyl-2-phenylimidazole
CID 4048187
4-chloro-2,5-dimethoxy-N-(2-methylphenyl)benzenesulfonamide
CID 163343299
4-chloro-2,5-dimethoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 991853
1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole
CID 15942901
1-(3-chloro-4-methoxyphenyl)-2-methyl-6-phenylbenzimidazole
CID 171806435
ethyl 4-(4-chloro-2,5-dimethoxyphenyl)sulfonylpiperazine-1-carboxylate
CID 35202543
1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-propan-2-ylimidazole
CID 7574686
3-chloro-4-methoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide
CID 46286471
1,4-bis[(4-chloro-2,5-dimethoxyphenyl)sulfonyl]-2-methylpiperazine
CID 44787244

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-methyl-2-phenylimidazole?
The IUPAC name of 1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-methyl-2-phenylimidazole (CID 5303804) is 1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-methyl-2-phenylimidazole.
What is the SMILES notation for 1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-methyl-2-phenylimidazole?
The canonical SMILES for 1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-methyl-2-phenylimidazole is COc1cc(S(=O)(=O)n2cc(C)nc2-c2ccccc2)c(OC)cc1Cl.
What is the InChIKey of 1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-methyl-2-phenylimidazole?
The InChIKey is FWSCODRNSJLXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O4S/c1-12-11-21(18(20-12)13-7-5-4-6-8-13)26(22,23)17-10-15(24-2)14(19)9-16(17)25-3/h4-11H,1-3H3.
What are the key properties of 1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-methyl-2-phenylimidazole?
1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-methyl-2-phenylimidazole has a molecular weight of 392.86 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-methyl-2-phenylimidazole is sourced from PubChem (CID 5303804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).