3,4-dimethyl-N-[3-(5-methyl-1H-imidazol-4-yl)phenyl]benzenesulfonamide

C18H19N3O2S — CID 110735812

IUPAC3,4-dimethyl-N-[3-(5-methyl-1H-imidazol-4-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(-c3nc[nH]c3C)c2)cc1C
InChIInChI=1S/C18H19N3O2S/c1-12-7-8-17(9-13(12)2)24(22,23)21-16-6-4-5-15(10-16)18-14(3)19-11-20-18/h4-11,21H,1-3H3,(H,19,20)
InChIKeyNXXMEPFAGZBBQK-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.80
Rot. Bonds4

About 3,4-dimethyl-N-[3-(5-methyl-1H-imidazol-4-yl)phenyl]benzenesulfonamide

3,4-dimethyl-N-[3-(5-methyl-1H-imidazol-4-yl)phenyl]benzenesulfonamide (PubChem CID 110735812) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 3,4-dimethyl-N-[3-(5-methyl-1H-imidazol-4-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[3-(5-methyl-1H-imidazol-4-yl)phenyl]benzenesulfonamide
PubChem CID110735812
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name3,4-dimethyl-N-[3-(5-methyl-1H-imidazol-4-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(-c3nc[nH]c3C)c2)cc1C
InChIInChI=1S/C18H19N3O2S/c1-12-7-8-17(9-13(12)2)24(22,23)21-16-6-4-5-15(10-16)18-14(3)19-11-20-18/h4-11,21H,1-3H3,(H,19,20)
InChIKeyNXXMEPFAGZBBQK-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

3,4-dimethyl-N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]benzenesulfonamide
CID 110735641
N-[4-(1H-imidazol-2-yl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 110726562
N-[3-[(3,4-dimethylphenyl)sulfonylamino]phenyl]propanamide
CID 35538189
N-(3-hydroxy-4-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 64794059
3,4-dimethyl-N-(3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 71903183
N-(3,4-difluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 22773464
methyl 4-[3-(5-methyl-1H-imidazol-4-yl)anilino]-4-oxobutanoate
CID 110735757
4-methylsulfonyl-N-(3-quinazolin-4-ylphenyl)benzenesulfonamide
CID 71263613
3,4-dimethyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 26980942
N-(4-chlorophenyl)-3,4-dimethylbenzenesulfonamide
CID 7985042
3-chloro-4-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 122286270
N-(4-amino-3,5-dichlorophenyl)-3,4-dimethylbenzenesulfonamide
CID 8538684

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[3-(5-methyl-1H-imidazol-4-yl)phenyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-[3-(5-methyl-1H-imidazol-4-yl)phenyl]benzenesulfonamide (CID 110735812) is 3,4-dimethyl-N-[3-(5-methyl-1H-imidazol-4-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-[3-(5-methyl-1H-imidazol-4-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-[3-(5-methyl-1H-imidazol-4-yl)phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cccc(-c3nc[nH]c3C)c2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[3-(5-methyl-1H-imidazol-4-yl)phenyl]benzenesulfonamide?
The InChIKey is NXXMEPFAGZBBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-12-7-8-17(9-13(12)2)24(22,23)21-16-6-4-5-15(10-16)18-14(3)19-11-20-18/h4-11,21H,1-3H3,(H,19,20).
What are the key properties of 3,4-dimethyl-N-[3-(5-methyl-1H-imidazol-4-yl)phenyl]benzenesulfonamide?
3,4-dimethyl-N-[3-(5-methyl-1H-imidazol-4-yl)phenyl]benzenesulfonamide 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 3,4-dimethyl-N-[3-(5-methyl-1H-imidazol-4-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 110735812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).