3,4-dimethyl-N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]benzenesulfonamide

C18H19N3O2S — CID 110735641

IUPAC3,4-dimethyl-N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]benzenesulfonamide
SMILESCc1ncc(-c2cccc(NS(=O)(=O)c3ccc(C)c(C)c3)c2)[nH]1
InChIInChI=1S/C18H19N3O2S/c1-12-7-8-17(9-13(12)2)24(22,23)21-16-6-4-5-15(10-16)18-11-19-14(3)20-18/h4-11,21H,1-3H3,(H,19,20)
InChIKeyQPKQTNPVGDYEOT-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.80
Rot. Bonds4

About 3,4-dimethyl-N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]benzenesulfonamide

3,4-dimethyl-N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]benzenesulfonamide (PubChem CID 110735641) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 3,4-dimethyl-N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]benzenesulfonamide
PubChem CID110735641
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name3,4-dimethyl-N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]benzenesulfonamide
SMILESCc1ncc(-c2cccc(NS(=O)(=O)c3ccc(C)c(C)c3)c2)[nH]1
InChIInChI=1S/C18H19N3O2S/c1-12-7-8-17(9-13(12)2)24(22,23)21-16-6-4-5-15(10-16)18-11-19-14(3)20-18/h4-11,21H,1-3H3,(H,19,20)
InChIKeyQPKQTNPVGDYEOT-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-(2-methyl-1H-imidazol-5-yl)phenyl]ethanesulfonamide
CID 110735632
3,4-dimethyl-N-[3-(5-methyl-1H-imidazol-4-yl)phenyl]benzenesulfonamide
CID 110735812
2-methyl-N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]benzenesulfonamide
CID 110735573
3,4-dimethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 110666567
3,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 113237180
4-methyl-N-[3-(6-oxo-1H-pyridin-2-yl)phenyl]benzenesulfonamide
CID 169371220
2-methyl-N-(3-methylphenyl)-1H-imidazole-5-sulfonamide
CID 63000163
N-[3-[(3,4-dimethylphenyl)sulfonylamino]phenyl]propanamide
CID 35538189
N-(3-hydroxy-4-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 64794059
3,4-dimethyl-N-(4-methyl-3-nitrophenyl)benzenesulfonamide
CID 22775051
5-fluoro-N-[3-(5-fluoro-1H-indol-2-yl)phenyl]-2-methylbenzenesulfonamide
CID 46375065
N-[3-(5-fluoro-1H-indol-2-yl)phenyl]-4-methylbenzenesulfonamide
CID 46375053

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]benzenesulfonamide (CID 110735641) is 3,4-dimethyl-N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]benzenesulfonamide is Cc1ncc(-c2cccc(NS(=O)(=O)c3ccc(C)c(C)c3)c2)[nH]1.
What is the InChIKey of 3,4-dimethyl-N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]benzenesulfonamide?
The InChIKey is QPKQTNPVGDYEOT-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)18-11-19-14(3)20-18/h4-11,21H,1-3H3,(H,19,20).
What are the key properties of 3,4-dimethyl-N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]benzenesulfonamide?
3,4-dimethyl-N-[3-(2-methyl-1H-imidazol-5-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-(2-methyl-1H-imidazol-5-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 110735641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).