1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]methanesulfonamide

C18H16Cl2FN3O2S — CID 56513263

IUPAC1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]methanesulfonamide
SMILESCn1ccnc1C(NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C18H16Cl2FN3O2S/c1-24-9-8-22-18(24)17(13-3-5-14(21)6-4-13)23-27(25,26)11-12-2-7-15(19)16(20)10-12/h2-10,17,23H,11H2,1H3
InChIKeyMLOZJLQMKGRVPH-UHFFFAOYSA-N
MW428.32 g/mol
LogP4.07
Rot. Bonds6

About 1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]methanesulfonamide

1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]methanesulfonamide (PubChem CID 56513263) has the molecular formula C18H16Cl2FN3O2S and a molecular weight of 428.32 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]methanesulfonamide
PubChem CID56513263
Molecular FormulaC18H16Cl2FN3O2S
Molecular Weight428.32 g/mol
Exact Mass427.03
IUPAC Name1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]methanesulfonamide
SMILESCn1ccnc1C(NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C18H16Cl2FN3O2S/c1-24-9-8-22-18(24)17(13-3-5-14(21)6-4-13)23-27(25,26)11-12-2-7-15(19)16(20)10-12/h2-10,17,23H,11H2,1H3
InChIKeyMLOZJLQMKGRVPH-UHFFFAOYSA-N
XLogP4.07
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.32
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]ethanesulfonamide
CID 107650683
2-(3,4-dichlorophenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25358319
2-[(S)-(diethylsulfamoylamino)-(4-fluorophenyl)methyl]-1-methylimidazole
CID 31080259
2-chloro-4-fluoro-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 93233572
4-fluoro-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 25350052
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methylbenzenesulfonamide
CID 40939712
N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4-dimethylbenzenesulfonamide
CID 40797862
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]azepane-1-sulfonamide
CID 18148569
2-[(4-chlorophenyl)-(diethylsulfamoylamino)methyl]-1-methylimidazole
CID 46511184
[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]hydrazine
CID 105192712
2-(3-fluorophenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 40952505
2,6-dichloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 24541169

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]methanesulfonamide (CID 56513263) is 1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]methanesulfonamide is Cn1ccnc1C(NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]methanesulfonamide?
The InChIKey is MLOZJLQMKGRVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2FN3O2S/c1-24-9-8-22-18(24)17(13-3-5-14(21)6-4-13)23-27(25,26)11-12-2-7-15(19)16(20)10-12/h2-10,17,23H,11H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]methanesulfonamide?
1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]methanesulfonamide has a molecular weight of 428.32 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]methanesulfonamide is sourced from PubChem (CID 56513263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).