2,6-dichloro-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide

C18H17Cl2N3O3S — CID 24541241

IUPAC2,6-dichloro-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
SMILESCOc1cccc(C(NS(=O)(=O)c2c(Cl)cccc2Cl)c2nccn2C)c1
InChIInChI=1S/C18H17Cl2N3O3S/c1-23-10-9-21-18(23)16(12-5-3-6-13(11-12)26-2)22-27(24,25)17-14(19)7-4-8-15(17)20/h3-11,16,22H,1-2H3
InChIKeyJQBORBKHVSPPGO-UHFFFAOYSA-N
MW426.33 g/mol
LogP3.80
Rot. Bonds6

About 2,6-dichloro-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide

2,6-dichloro-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide (PubChem CID 24541241) has the molecular formula C18H17Cl2N3O3S and a molecular weight of 426.33 g/mol. Its IUPAC name is 2,6-dichloro-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-dichloro-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
PubChem CID24541241
Molecular FormulaC18H17Cl2N3O3S
Molecular Weight426.33 g/mol
Exact Mass425.04
IUPAC Name2,6-dichloro-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
SMILESCOc1cccc(C(NS(=O)(=O)c2c(Cl)cccc2Cl)c2nccn2C)c1
InChIInChI=1S/C18H17Cl2N3O3S/c1-23-10-9-21-18(23)16(12-5-3-6-13(11-12)26-2)22-27(24,25)17-14(19)7-4-8-15(17)20/h3-11,16,22H,1-2H3
InChIKeyJQBORBKHVSPPGO-UHFFFAOYSA-N
XLogP3.80
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.33
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dichloro-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 24541230
2,6-dichloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 24541169
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-sulfonamide
CID 51274932
3,4-diethoxy-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 24541270
4-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzenesulfonamide
CID 46653959
N-[3-[[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]sulfamoyl]-4-methylphenyl]acetamide
CID 55456688
N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-fluorobenzenesulfonamide
CID 40797952
2-(2-chloro-6-fluorophenyl)-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 40797865
2-(2-chlorophenoxy)-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 40795395
N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 27690985
2,4-dichloro-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 51269170
4-tert-butyl-2,6-dimethyl-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]benzenesulfonamide
CID 27690542

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,6-dichloro-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide (CID 24541241) is 2,6-dichloro-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,6-dichloro-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,6-dichloro-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide is COc1cccc(C(NS(=O)(=O)c2c(Cl)cccc2Cl)c2nccn2C)c1.
What is the InChIKey of 2,6-dichloro-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is JQBORBKHVSPPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O3S/c1-23-10-9-21-18(23)16(12-5-3-6-13(11-12)26-2)22-27(24,25)17-14(19)7-4-8-15(17)20/h3-11,16,22H,1-2H3.
What are the key properties of 2,6-dichloro-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide?
2,6-dichloro-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide has a molecular weight of 426.33 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 24541241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).