N-[4-(1H-imidazol-5-yl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide

C18H19N3O3S — CID 110668488

IUPACN-[4-(1H-imidazol-5-yl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)Nc2ccc(-c3cnc[nH]3)cc2)cc1C
InChIInChI=1S/C18H19N3O3S/c1-12-9-18(13(2)8-17(12)24-3)25(22,23)21-15-6-4-14(5-7-15)16-10-19-11-20-16/h4-11,21H,1-3H3,(H,19,20)
InChIKeyRHRHXVHRIVVCCG-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.50
Rot. Bonds5

About N-[4-(1H-imidazol-5-yl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide

N-[4-(1H-imidazol-5-yl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide (PubChem CID 110668488) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-[4-(1H-imidazol-5-yl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(1H-imidazol-5-yl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
PubChem CID110668488
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC NameN-[4-(1H-imidazol-5-yl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)Nc2ccc(-c3cnc[nH]3)cc2)cc1C
InChIInChI=1S/C18H19N3O3S/c1-12-9-18(13(2)8-17(12)24-3)25(22,23)21-15-6-4-14(5-7-15)16-10-19-11-20-16/h4-11,21H,1-3H3,(H,19,20)
InChIKeyRHRHXVHRIVVCCG-UHFFFAOYSA-N
XLogP3.50
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(1H-imidazol-5-yl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(1H-imidazol-5-yl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 61275740
N-[4-(1H-imidazol-5-yl)phenyl]-4-methylbenzenesulfonamide
CID 84512772
4-methoxy-2,5-dimethyl-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide
CID 110724977
N-[4-(1H-imidazol-5-yl)phenyl]-3-methylbenzenesulfonamide
CID 84512955
N-[4-(1H-imidazol-5-yl)phenyl]-1H-pyrazole-4-sulfonamide
CID 61275741
N-(4-hydroxyphenyl)-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 146672107
4-methoxy-N-[4-(3-methoxypropylamino)phenyl]-2,5-dimethylbenzenesulfonamide
CID 112981124
N-(1,3-benzoxazol-6-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 110728948
N-[4-(1H-imidazol-5-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 84512965
N-[4-(diethylsulfamoyl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 100528166
N-(2-ethoxypyrimidin-5-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 122301894
4-methoxy-2,5-dimethyl-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
CID 27475907

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-imidazol-5-yl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[4-(1H-imidazol-5-yl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide (CID 110668488) is N-[4-(1H-imidazol-5-yl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[4-(1H-imidazol-5-yl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[4-(1H-imidazol-5-yl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide is COc1cc(C)c(S(=O)(=O)Nc2ccc(-c3cnc[nH]3)cc2)cc1C.
What is the InChIKey of N-[4-(1H-imidazol-5-yl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide?
The InChIKey is RHRHXVHRIVVCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-12-9-18(13(2)8-17(12)24-3)25(22,23)21-15-6-4-14(5-7-15)16-10-19-11-20-16/h4-11,21H,1-3H3,(H,19,20).
What are the key properties of N-[4-(1H-imidazol-5-yl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide?
N-[4-(1H-imidazol-5-yl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide has a molecular weight of 357.44 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-imidazol-5-yl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 110668488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).