4-bromo-2,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide

C12H12BrCl2N3O2S — CID 51123228

IUPAC4-bromo-2,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
SMILESCn1ccnc1CCNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C12H12BrCl2N3O2S/c1-18-5-4-16-11(18)2-3-17-21(19,20)12-9(14)6-8(13)7-10(12)15/h4-7,17H,2-3H2,1H3
InChIKeyJTHDWQLDMVLLEU-UHFFFAOYSA-N
MW413.12 g/mol
LogP3.01
Rot. Bonds5

About 4-bromo-2,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide

4-bromo-2,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 51123228) has the molecular formula C12H12BrCl2N3O2S and a molecular weight of 413.12 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
PubChem CID51123228
Molecular FormulaC12H12BrCl2N3O2S
Molecular Weight413.12 g/mol
Exact Mass410.92
IUPAC Name4-bromo-2,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
SMILESCn1ccnc1CCNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C12H12BrCl2N3O2S/c1-18-5-4-16-11(18)2-3-17-21(19,20)12-9(14)6-8(13)7-10(12)15/h4-7,17H,2-3H2,1H3
InChIKeyJTHDWQLDMVLLEU-UHFFFAOYSA-N
XLogP3.01
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.12
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-sulfonamide
CID 64608216
4-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
CID 61218136
2-amino-4,5-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
CID 61215128
N-[2-(1-methylimidazol-2-yl)ethyl]propane-1-sulfonamide
CID 62038834
4-bromo-2,6-dichloro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605913
6-(methylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-sulfonamide
CID 62158342
4-bromo-2,6-dichloro-N-ethylbenzenesulfonamide
CID 2448035
2-amino-4-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
CID 61214867
3-amino-4,5-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
CID 61214726
5-amino-2-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
CID 61214865
4-bromo-2,6-dichloro-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63961201
4-bromo-2,6-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 4967816

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide (CID 51123228) is 4-bromo-2,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide is Cn1ccnc1CCNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is JTHDWQLDMVLLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrCl2N3O2S/c1-18-5-4-16-11(18)2-3-17-21(19,20)12-9(14)6-8(13)7-10(12)15/h4-7,17H,2-3H2,1H3.
What are the key properties of 4-bromo-2,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide?
4-bromo-2,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 413.12 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 51123228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).