1-(benzenesulfonyl)-3-(2,5-dimethylpyrrol-1-yl)-4-fluoroindazole

C19H16FN3O2S — CID 2809939

IUPAC1-(benzenesulfonyl)-3-(2,5-dimethylpyrrol-1-yl)-4-fluoroindazole
SMILESCc1ccc(C)n1-c1nn(S(=O)(=O)c2ccccc2)c2cccc(F)c12
InChIInChI=1S/C19H16FN3O2S/c1-13-11-12-14(2)22(13)19-18-16(20)9-6-10-17(18)23(21-19)26(24,25)15-7-4-3-5-8-15/h3-12H,1-2H3
InChIKeyLBUWIFZKGVBWPS-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.82
Rot. Bonds3

About 1-(benzenesulfonyl)-3-(2,5-dimethylpyrrol-1-yl)-4-fluoroindazole

1-(benzenesulfonyl)-3-(2,5-dimethylpyrrol-1-yl)-4-fluoroindazole (PubChem CID 2809939) has the molecular formula C19H16FN3O2S and a molecular weight of 369.42 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-(2,5-dimethylpyrrol-1-yl)-4-fluoroindazole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-(2,5-dimethylpyrrol-1-yl)-4-fluoroindazole
PubChem CID2809939
Molecular FormulaC19H16FN3O2S
Molecular Weight369.42 g/mol
Exact Mass369.09
IUPAC Name1-(benzenesulfonyl)-3-(2,5-dimethylpyrrol-1-yl)-4-fluoroindazole
SMILESCc1ccc(C)n1-c1nn(S(=O)(=O)c2ccccc2)c2cccc(F)c12
InChIInChI=1S/C19H16FN3O2S/c1-13-11-12-14(2)22(13)19-18-16(20)9-6-10-17(18)23(21-19)26(24,25)15-7-4-3-5-8-15/h3-12H,1-2H3
InChIKeyLBUWIFZKGVBWPS-UHFFFAOYSA-N
XLogP3.82
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-(2,5-dimethylpyrrol-1-yl)-4-fluoroindazole?
The IUPAC name of 1-(benzenesulfonyl)-3-(2,5-dimethylpyrrol-1-yl)-4-fluoroindazole (CID 2809939) is 1-(benzenesulfonyl)-3-(2,5-dimethylpyrrol-1-yl)-4-fluoroindazole.
What is the SMILES notation for 1-(benzenesulfonyl)-3-(2,5-dimethylpyrrol-1-yl)-4-fluoroindazole?
The canonical SMILES for 1-(benzenesulfonyl)-3-(2,5-dimethylpyrrol-1-yl)-4-fluoroindazole is Cc1ccc(C)n1-c1nn(S(=O)(=O)c2ccccc2)c2cccc(F)c12.
What is the InChIKey of 1-(benzenesulfonyl)-3-(2,5-dimethylpyrrol-1-yl)-4-fluoroindazole?
The InChIKey is LBUWIFZKGVBWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2S/c1-13-11-12-14(2)22(13)19-18-16(20)9-6-10-17(18)23(21-19)26(24,25)15-7-4-3-5-8-15/h3-12H,1-2H3.
What are the key properties of 1-(benzenesulfonyl)-3-(2,5-dimethylpyrrol-1-yl)-4-fluoroindazole?
1-(benzenesulfonyl)-3-(2,5-dimethylpyrrol-1-yl)-4-fluoroindazole has a molecular weight of 369.42 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-(2,5-dimethylpyrrol-1-yl)-4-fluoroindazole is sourced from PubChem (CID 2809939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).