N-[(4-bromophenyl)methyl]-N-[(2-chloro-6-fluorophenyl)methyl]-1-methylimidazole-4-sulfonamide

C18H16BrClFN3O2S — CID 46203880

IUPACN-[(4-bromophenyl)methyl]-N-[(2-chloro-6-fluorophenyl)methyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)N(Cc2ccc(Br)cc2)Cc2c(F)cccc2Cl)c1
InChIInChI=1S/C18H16BrClFN3O2S/c1-23-11-18(22-12-23)27(25,26)24(9-13-5-7-14(19)8-6-13)10-15-16(20)3-2-4-17(15)21/h2-8,11-12H,9-10H2,1H3
InChIKeyMZCMIXWRKRJLPZ-UHFFFAOYSA-N
MW472.77 g/mol
LogP4.37
Rot. Bonds6

About N-[(4-bromophenyl)methyl]-N-[(2-chloro-6-fluorophenyl)methyl]-1-methylimidazole-4-sulfonamide

N-[(4-bromophenyl)methyl]-N-[(2-chloro-6-fluorophenyl)methyl]-1-methylimidazole-4-sulfonamide (PubChem CID 46203880) has the molecular formula C18H16BrClFN3O2S and a molecular weight of 472.77 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-N-[(2-chloro-6-fluorophenyl)methyl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-N-[(2-chloro-6-fluorophenyl)methyl]-1-methylimidazole-4-sulfonamide
PubChem CID46203880
Molecular FormulaC18H16BrClFN3O2S
Molecular Weight472.77 g/mol
Exact Mass470.98
IUPAC NameN-[(4-bromophenyl)methyl]-N-[(2-chloro-6-fluorophenyl)methyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)N(Cc2ccc(Br)cc2)Cc2c(F)cccc2Cl)c1
InChIInChI=1S/C18H16BrClFN3O2S/c1-23-11-18(22-12-23)27(25,26)24(9-13-5-7-14(19)8-6-13)10-15-16(20)3-2-4-17(15)21/h2-8,11-12H,9-10H2,1H3
InChIKeyMZCMIXWRKRJLPZ-UHFFFAOYSA-N
XLogP4.37
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.77
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-N-[(2-chloro-6-fluorophenyl)methyl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-N-[(2-chloro-6-fluorophenyl)methyl]-1-methylimidazole-4-sulfonamide (CID 46203880) is N-[(4-bromophenyl)methyl]-N-[(2-chloro-6-fluorophenyl)methyl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-N-[(2-chloro-6-fluorophenyl)methyl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-N-[(2-chloro-6-fluorophenyl)methyl]-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)N(Cc2ccc(Br)cc2)Cc2c(F)cccc2Cl)c1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-N-[(2-chloro-6-fluorophenyl)methyl]-1-methylimidazole-4-sulfonamide?
The InChIKey is MZCMIXWRKRJLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrClFN3O2S/c1-23-11-18(22-12-23)27(25,26)24(9-13-5-7-14(19)8-6-13)10-15-16(20)3-2-4-17(15)21/h2-8,11-12H,9-10H2,1H3.
What are the key properties of N-[(4-bromophenyl)methyl]-N-[(2-chloro-6-fluorophenyl)methyl]-1-methylimidazole-4-sulfonamide?
N-[(4-bromophenyl)methyl]-N-[(2-chloro-6-fluorophenyl)methyl]-1-methylimidazole-4-sulfonamide has a molecular weight of 472.77 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-N-[(2-chloro-6-fluorophenyl)methyl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 46203880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).