2-[4-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]pyrazol-1-yl]acetamide

C19H15FN4O3S — CID 118060424

IUPAC2-[4-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]pyrazol-1-yl]acetamide
SMILESNC(=O)Cn1cc(-c2cn(S(=O)(=O)c3ccccc3)c3cc(F)ccc23)cn1
InChIInChI=1S/C19H15FN4O3S/c20-14-6-7-16-17(13-9-22-23(10-13)12-19(21)25)11-24(18(16)8-14)28(26,27)15-4-2-1-3-5-15/h1-11H,12H2,(H2,21,25)
InChIKeyBHZHZRRYDKWEFJ-UHFFFAOYSA-N
MW398.42 g/mol
LogP2.37
Rot. Bonds5

About 2-[4-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]pyrazol-1-yl]acetamide

2-[4-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]pyrazol-1-yl]acetamide (PubChem CID 118060424) has the molecular formula C19H15FN4O3S and a molecular weight of 398.42 g/mol. Its IUPAC name is 2-[4-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]pyrazol-1-yl]acetamide
PubChem CID118060424
Molecular FormulaC19H15FN4O3S
Molecular Weight398.42 g/mol
Exact Mass398.08
IUPAC Name2-[4-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]pyrazol-1-yl]acetamide
SMILESNC(=O)Cn1cc(-c2cn(S(=O)(=O)c3ccccc3)c3cc(F)ccc23)cn1
InChIInChI=1S/C19H15FN4O3S/c20-14-6-7-16-17(13-9-22-23(10-13)12-19(21)25)11-24(18(16)8-14)28(26,27)15-4-2-1-3-5-15/h1-11H,12H2,(H2,21,25)
InChIKeyBHZHZRRYDKWEFJ-UHFFFAOYSA-N
XLogP2.37
TPSA99.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]pyrazol-1-yl]acetamide?
The IUPAC name of 2-[4-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]pyrazol-1-yl]acetamide (CID 118060424) is 2-[4-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[4-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]pyrazol-1-yl]acetamide is NC(=O)Cn1cc(-c2cn(S(=O)(=O)c3ccccc3)c3cc(F)ccc23)cn1.
What is the InChIKey of 2-[4-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]pyrazol-1-yl]acetamide?
The InChIKey is BHZHZRRYDKWEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O3S/c20-14-6-7-16-17(13-9-22-23(10-13)12-19(21)25)11-24(18(16)8-14)28(26,27)15-4-2-1-3-5-15/h1-11H,12H2,(H2,21,25).
What are the key properties of 2-[4-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]pyrazol-1-yl]acetamide?
2-[4-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]pyrazol-1-yl]acetamide has a molecular weight of 398.42 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]pyrazol-1-yl]acetamide is sourced from PubChem (CID 118060424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).