4-fluoro-N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide

C22H27FN4O2S — CID 666303

IUPAC4-fluoro-N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide
SMILESCC1CCN(CCc2nc3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3n2C)CC1
InChIInChI=1S/C22H27FN4O2S/c1-16-9-12-27(13-10-16)14-11-22-24-20-15-18(5-8-21(20)26(22)2)25-30(28,29)19-6-3-17(23)4-7-19/h3-8,15-16,25H,9-14H2,1-2H3
InChIKeyUGRJTJGRCAXPEK-UHFFFAOYSA-N
MW430.55 g/mol
LogP3.79
Rot. Bonds6

About 4-fluoro-N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide

4-fluoro-N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide (PubChem CID 666303) has the molecular formula C22H27FN4O2S and a molecular weight of 430.55 g/mol. Its IUPAC name is 4-fluoro-N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide
PubChem CID666303
Molecular FormulaC22H27FN4O2S
Molecular Weight430.55 g/mol
Exact Mass430.18
IUPAC Name4-fluoro-N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide
SMILESCC1CCN(CCc2nc3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3n2C)CC1
InChIInChI=1S/C22H27FN4O2S/c1-16-9-12-27(13-10-16)14-11-22-24-20-15-18(5-8-21(20)26(22)2)25-30(28,29)19-6-3-17(23)4-7-19/h3-8,15-16,25H,9-14H2,1-2H3
InChIKeyUGRJTJGRCAXPEK-UHFFFAOYSA-N
XLogP3.79
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide (CID 666303) is 4-fluoro-N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide is CC1CCN(CCc2nc3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3n2C)CC1.
What is the InChIKey of 4-fluoro-N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide?
The InChIKey is UGRJTJGRCAXPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O2S/c1-16-9-12-27(13-10-16)14-11-22-24-20-15-18(5-8-21(20)26(22)2)25-30(28,29)19-6-3-17(23)4-7-19/h3-8,15-16,25H,9-14H2,1-2H3.
What are the key properties of 4-fluoro-N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide?
4-fluoro-N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide has a molecular weight of 430.55 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 666303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).