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

C11H12Cl2N4O2S — CID 64510402

IUPAC2-amino-4,6-dichloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide
SMILESCN(Cc1ncc[nH]1)S(=O)(=O)c1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C11H12Cl2N4O2S/c1-17(6-10-15-2-3-16-10)20(18,19)11-8(13)4-7(12)5-9(11)14/h2-5H,6,14H2,1H3,(H,15,16)
InChIKeyMMWCJSAVLNMIRZ-UHFFFAOYSA-N
MW335.22 g/mol
LogP2.12
Rot. Bonds4

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

2-amino-4,6-dichloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide (PubChem CID 64510402) has the molecular formula C11H12Cl2N4O2S and a molecular weight of 335.22 g/mol. Its IUPAC name is 2-amino-4,6-dichloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dichloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide
PubChem CID64510402
Molecular FormulaC11H12Cl2N4O2S
Molecular Weight335.22 g/mol
Exact Mass334.01
IUPAC Name2-amino-4,6-dichloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide
SMILESCN(Cc1ncc[nH]1)S(=O)(=O)c1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C11H12Cl2N4O2S/c1-17(6-10-15-2-3-16-10)20(18,19)11-8(13)4-7(12)5-9(11)14/h2-5H,6,14H2,1H3,(H,15,16)
InChIKeyMMWCJSAVLNMIRZ-UHFFFAOYSA-N
XLogP2.12
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,4,6-trichloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide
CID 64518046
3-amino-N-(1H-imidazol-2-ylmethyl)-N,2,6-trimethylbenzenesulfonamide
CID 64511956
3-amino-4-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide
CID 64512733
4-chloro-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylbenzenesulfonamide
CID 64519782
2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylpyrimidine-5-sulfonamide
CID 64518721
2-amino-4,6-dichloro-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61114749
2-amino-4,6-dichloro-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 43271650
3-amino-N-(1H-imidazol-2-ylmethyl)-N,1,5-trimethylpyrazole-4-sulfonamide
CID 105358992
3-amino-4-bromo-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide
CID 115329450
5-chloro-6-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-sulfonamide
CID 64608776
3-amino-N-(1H-imidazol-2-ylmethyl)-N,5-dimethylbenzenesulfonamide
CID 64512154
N-(1H-imidazol-2-ylmethyl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 64518245

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dichloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide?
The IUPAC name of 2-amino-4,6-dichloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide (CID 64510402) is 2-amino-4,6-dichloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dichloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dichloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide is CN(Cc1ncc[nH]1)S(=O)(=O)c1c(N)cc(Cl)cc1Cl.
What is the InChIKey of 2-amino-4,6-dichloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide?
The InChIKey is MMWCJSAVLNMIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N4O2S/c1-17(6-10-15-2-3-16-10)20(18,19)11-8(13)4-7(12)5-9(11)14/h2-5H,6,14H2,1H3,(H,15,16).
What are the key properties of 2-amino-4,6-dichloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide?
2-amino-4,6-dichloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide has a molecular weight of 335.22 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dichloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 64510402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).