N-[2-fluoro-6-(propylamino)phenyl]-1,2-dimethylimidazole-4-sulfonamide

C14H19FN4O2S — CID 75472963

IUPACN-[2-fluoro-6-(propylamino)phenyl]-1,2-dimethylimidazole-4-sulfonamide
SMILESCCCNc1cccc(F)c1NS(=O)(=O)c1cn(C)c(C)n1
InChIInChI=1S/C14H19FN4O2S/c1-4-8-16-12-7-5-6-11(15)14(12)18-22(20,21)13-9-19(3)10(2)17-13/h5-7,9,16,18H,4,8H2,1-3H3
InChIKeyYFABXERGRYOIDD-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.49
Rot. Bonds6

About N-[2-fluoro-6-(propylamino)phenyl]-1,2-dimethylimidazole-4-sulfonamide

N-[2-fluoro-6-(propylamino)phenyl]-1,2-dimethylimidazole-4-sulfonamide (PubChem CID 75472963) has the molecular formula C14H19FN4O2S and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[2-fluoro-6-(propylamino)phenyl]-1,2-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-fluoro-6-(propylamino)phenyl]-1,2-dimethylimidazole-4-sulfonamide
PubChem CID75472963
Molecular FormulaC14H19FN4O2S
Molecular Weight326.40 g/mol
Exact Mass326.12
IUPAC NameN-[2-fluoro-6-(propylamino)phenyl]-1,2-dimethylimidazole-4-sulfonamide
SMILESCCCNc1cccc(F)c1NS(=O)(=O)c1cn(C)c(C)n1
InChIInChI=1S/C14H19FN4O2S/c1-4-8-16-12-7-5-6-11(15)14(12)18-22(20,21)13-9-19(3)10(2)17-13/h5-7,9,16,18H,4,8H2,1-3H3
InChIKeyYFABXERGRYOIDD-UHFFFAOYSA-N
XLogP2.49
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-6-(propylamino)phenyl]-1,2-dimethylimidazole-4-sulfonamide?
The IUPAC name of N-[2-fluoro-6-(propylamino)phenyl]-1,2-dimethylimidazole-4-sulfonamide (CID 75472963) is N-[2-fluoro-6-(propylamino)phenyl]-1,2-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-[2-fluoro-6-(propylamino)phenyl]-1,2-dimethylimidazole-4-sulfonamide?
The canonical SMILES for N-[2-fluoro-6-(propylamino)phenyl]-1,2-dimethylimidazole-4-sulfonamide is CCCNc1cccc(F)c1NS(=O)(=O)c1cn(C)c(C)n1.
What is the InChIKey of N-[2-fluoro-6-(propylamino)phenyl]-1,2-dimethylimidazole-4-sulfonamide?
The InChIKey is YFABXERGRYOIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O2S/c1-4-8-16-12-7-5-6-11(15)14(12)18-22(20,21)13-9-19(3)10(2)17-13/h5-7,9,16,18H,4,8H2,1-3H3.
What are the key properties of N-[2-fluoro-6-(propylamino)phenyl]-1,2-dimethylimidazole-4-sulfonamide?
N-[2-fluoro-6-(propylamino)phenyl]-1,2-dimethylimidazole-4-sulfonamide has a molecular weight of 326.40 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-6-(propylamino)phenyl]-1,2-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 75472963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).