4-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide

C12H14FN3O2S — CID 61218136

IUPAC4-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
SMILESCn1ccnc1CCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H14FN3O2S/c1-16-9-8-14-12(16)6-7-15-19(17,18)11-4-2-10(13)3-5-11/h2-5,8-9,15H,6-7H2,1H3
InChIKeyDXSJNQHWVGMFJM-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.08
Rot. Bonds5

About 4-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide

4-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 61218136) has the molecular formula C12H14FN3O2S and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
PubChem CID61218136
Molecular FormulaC12H14FN3O2S
Molecular Weight283.33 g/mol
Exact Mass283.08
IUPAC Name4-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
SMILESCn1ccnc1CCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H14FN3O2S/c1-16-9-8-14-12(16)6-7-15-19(17,18)11-4-2-10(13)3-5-11/h2-5,8-9,15H,6-7H2,1H3
InChIKeyDXSJNQHWVGMFJM-UHFFFAOYSA-N
XLogP1.08
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(methylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-sulfonamide
CID 62158342
N-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422069
4-cyano-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
CID 106833177
N-[2-(1-methylimidazol-2-yl)ethyl]-4-(propylsulfamoyl)benzamide
CID 91834351
5-amino-2-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
CID 61214865
5,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-sulfonamide
CID 64608216
3-amino-4,5-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
CID 61214726
4-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 110440947
4-[2-(methylamino)ethyl]-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 106062575
4-[(1-methylimidazol-2-yl)methylamino]-N-propylbenzenesulfonamide
CID 63295569
N-[2-(1-methylimidazol-2-yl)ethyl]propane-1-sulfonamide
CID 62038834
1-[2-(methylamino)ethyl]-N-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-sulfonamide
CID 106017953

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide (CID 61218136) is 4-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide is Cn1ccnc1CCNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is DXSJNQHWVGMFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2S/c1-16-9-8-14-12(16)6-7-15-19(17,18)11-4-2-10(13)3-5-11/h2-5,8-9,15H,6-7H2,1H3.
What are the key properties of 4-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide?
4-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 283.33 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 61218136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).