N-[3-(1H-imidazol-5-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide

C18H19N3O2S — CID 110668633

IUPACN-[3-(1H-imidazol-5-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2cccc(-c3cnc[nH]3)c2)c(C)c1
InChIInChI=1S/C18H19N3O2S/c1-12-7-13(2)18(14(3)8-12)24(22,23)21-16-6-4-5-15(9-16)17-10-19-11-20-17/h4-11,21H,1-3H3,(H,19,20)
InChIKeyPQBOJWRQVJULBD-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.80
Rot. Bonds4

About N-[3-(1H-imidazol-5-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide

N-[3-(1H-imidazol-5-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide (PubChem CID 110668633) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-[3-(1H-imidazol-5-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(1H-imidazol-5-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide
PubChem CID110668633
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-[3-(1H-imidazol-5-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2cccc(-c3cnc[nH]3)c2)c(C)c1
InChIInChI=1S/C18H19N3O2S/c1-12-7-13(2)18(14(3)8-12)24(22,23)21-16-6-4-5-15(9-16)17-10-19-11-20-17/h4-11,21H,1-3H3,(H,19,20)
InChIKeyPQBOJWRQVJULBD-UHFFFAOYSA-N
XLogP3.80
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylphenyl)-1H-imidazole-5-sulfonamide
CID 3658049
N-[4-(1H-imidazol-5-yl)phenyl]-3-methylbenzenesulfonamide
CID 84512955
2,4,6-trimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110643728
1-(4-fluorophenyl)-N-[3-(1H-imidazol-5-yl)phenyl]methanesulfonamide
CID 110668658
N-[4-(1H-imidazol-5-yl)phenyl]-4-methylbenzenesulfonamide
CID 84512772
N-(3-methoxyphenyl)-2,4,6-trimethylbenzenesulfonamide
CID 779111
N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 90557042
N-[3-(6,8-dibromoimidazo[1,2-a]pyridin-2-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 42737783
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2,4,6-trimethylbenzenesulfonamide
CID 110405797
2,4,6-trimethyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzenesulfonamide
CID 92646116
N-[4-(1H-imidazol-5-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 84512965
N-[3-(1H-imidazol-5-yl)phenyl]-3,3-dimethylbutanamide
CID 110668596

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-imidazol-5-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[3-(1H-imidazol-5-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide (CID 110668633) is N-[3-(1H-imidazol-5-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[3-(1H-imidazol-5-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[3-(1H-imidazol-5-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2cccc(-c3cnc[nH]3)c2)c(C)c1.
What is the InChIKey of N-[3-(1H-imidazol-5-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is PQBOJWRQVJULBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-12-7-13(2)18(14(3)8-12)24(22,23)21-16-6-4-5-15(9-16)17-10-19-11-20-17/h4-11,21H,1-3H3,(H,19,20).
What are the key properties of N-[3-(1H-imidazol-5-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide?
N-[3-(1H-imidazol-5-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 341.44 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-imidazol-5-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 110668633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).