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

C12H14FN3O2S — CID 60664864

IUPAC4-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
SMILESCN(Cc1nccn1C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H14FN3O2S/c1-15-8-7-14-12(15)9-16(2)19(17,18)11-5-3-10(13)4-6-11/h3-8H,9H2,1-2H3
InChIKeyYLSTXADBJDNXCB-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.38
Rot. Bonds4

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

4-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide (PubChem CID 60664864) has the molecular formula C12H14FN3O2S and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
PubChem CID60664864
Molecular FormulaC12H14FN3O2S
Molecular Weight283.33 g/mol
Exact Mass283.08
IUPAC Name4-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
SMILESCN(Cc1nccn1C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H14FN3O2S/c1-15-8-7-14-12(15)9-16(2)19(17,18)11-5-3-10(13)4-6-11/h3-8H,9H2,1-2H3
InChIKeyYLSTXADBJDNXCB-UHFFFAOYSA-N
XLogP1.38
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 60664874
3-amino-4-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 61138433
4-amino-2,6-difluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 61141101
4-[methyl-[(1-methylimidazol-2-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid
CID 61063163
4-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
CID 61218136
2,4-dibromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 61063161
2-amino-5-bromo-4-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 106491551
2-amino-4-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 61140335
2-amino-4-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 61139388
2-amino-N,4,5-trimethyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 61139198
2-(chloromethyl)-N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]thiophene-3-sulfonamide
CID 102750644
N-[(2-ethylpyrazol-3-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide
CID 35520852

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide (CID 60664864) is 4-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide is CN(Cc1nccn1C)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is YLSTXADBJDNXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2S/c1-15-8-7-14-12(15)9-16(2)19(17,18)11-5-3-10(13)4-6-11/h3-8H,9H2,1-2H3.
What are the key properties of 4-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide?
4-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide has a molecular weight of 283.33 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 60664864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).