2,4,6-trichloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide

C11H10Cl3N3O2S — CID 64518046

IUPAC2,4,6-trichloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide
SMILESCN(Cc1ncc[nH]1)S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C11H10Cl3N3O2S/c1-17(6-10-15-2-3-16-10)20(18,19)11-8(13)4-7(12)5-9(11)14/h2-5H,6H2,1H3,(H,15,16)
InChIKeyYKKQZDADBSJWDP-UHFFFAOYSA-N
MW354.65 g/mol
LogP3.19
Rot. Bonds4

About 2,4,6-trichloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide

2,4,6-trichloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide (PubChem CID 64518046) has the molecular formula C11H10Cl3N3O2S and a molecular weight of 354.65 g/mol. Its IUPAC name is 2,4,6-trichloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trichloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide
PubChem CID64518046
Molecular FormulaC11H10Cl3N3O2S
Molecular Weight354.65 g/mol
Exact Mass352.96
IUPAC Name2,4,6-trichloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide
SMILESCN(Cc1ncc[nH]1)S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C11H10Cl3N3O2S/c1-17(6-10-15-2-3-16-10)20(18,19)11-8(13)4-7(12)5-9(11)14/h2-5H,6H2,1H3,(H,15,16)
InChIKeyYKKQZDADBSJWDP-UHFFFAOYSA-N
XLogP3.19
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.65
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,4,6-trichloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide 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

2-amino-4,6-dichloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide
CID 64510402
4-chloro-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylbenzenesulfonamide
CID 64519782
N-(1H-imidazol-2-ylmethyl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 64518245
5-chloro-2-cyano-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide
CID 64516881
3-(chloromethyl)-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide
CID 114279758
5-chloro-6-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-sulfonamide
CID 64608776
N-(1H-imidazol-2-ylmethyl)-N,1,3,5-tetramethylpyrazole-4-sulfonamide
CID 64519581
3-amino-N-(1H-imidazol-2-ylmethyl)-N,2,6-trimethylbenzenesulfonamide
CID 64511956
2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylpyrimidine-5-sulfonamide
CID 64518721
N-(1H-imidazol-2-ylmethyl)-N,2,5-trimethylthiophene-3-sulfonamide
CID 64517854
3-amino-N-(1H-imidazol-2-ylmethyl)-N,1,5-trimethylpyrazole-4-sulfonamide
CID 105358992
3-amino-4-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide
CID 64512733

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide?
The IUPAC name of 2,4,6-trichloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide (CID 64518046) is 2,4,6-trichloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2,4,6-trichloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 2,4,6-trichloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide is CN(Cc1ncc[nH]1)S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2,4,6-trichloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide?
The InChIKey is YKKQZDADBSJWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl3N3O2S/c1-17(6-10-15-2-3-16-10)20(18,19)11-8(13)4-7(12)5-9(11)14/h2-5H,6H2,1H3,(H,15,16).
What are the key properties of 2,4,6-trichloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide?
2,4,6-trichloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide has a molecular weight of 354.65 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 64518046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).