3-[1-(benzenesulfonyl)indazol-5-yl]azetidine-1-carboxylic acid

C17H15N3O4S — CID 141221133

IUPAC3-[1-(benzenesulfonyl)indazol-5-yl]azetidine-1-carboxylic acid
SMILESO=C(O)N1CC(c2ccc3c(cnn3S(=O)(=O)c3ccccc3)c2)C1
InChIInChI=1S/C17H15N3O4S/c21-17(22)19-10-14(11-19)12-6-7-16-13(8-12)9-18-20(16)25(23,24)15-4-2-1-3-5-15/h1-9,14H,10-11H2,(H,21,22)
InChIKeyFLKCMCCPDZQFCS-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.35
Rot. Bonds3

About 3-[1-(benzenesulfonyl)indazol-5-yl]azetidine-1-carboxylic acid

3-[1-(benzenesulfonyl)indazol-5-yl]azetidine-1-carboxylic acid (PubChem CID 141221133) has the molecular formula C17H15N3O4S and a molecular weight of 357.39 g/mol. Its IUPAC name is 3-[1-(benzenesulfonyl)indazol-5-yl]azetidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[1-(benzenesulfonyl)indazol-5-yl]azetidine-1-carboxylic acid
PubChem CID141221133
Molecular FormulaC17H15N3O4S
Molecular Weight357.39 g/mol
Exact Mass357.08
IUPAC Name3-[1-(benzenesulfonyl)indazol-5-yl]azetidine-1-carboxylic acid
SMILESO=C(O)N1CC(c2ccc3c(cnn3S(=O)(=O)c3ccccc3)c2)C1
InChIInChI=1S/C17H15N3O4S/c21-17(22)19-10-14(11-19)12-6-7-16-13(8-12)9-18-20(16)25(23,24)15-4-2-1-3-5-15/h1-9,14H,10-11H2,(H,21,22)
InChIKeyFLKCMCCPDZQFCS-UHFFFAOYSA-N
XLogP2.35
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-5-iodoindazole
CID 139270118
N-[1-(benzenesulfonyl)indazol-6-yl]acetamide
CID 156879676
1-(benzenesulfonyl)indazol-4-amine
CID 88992667
5-bromo-1-(4-methylphenyl)sulfonylindazole
CID 58137189
5-fluoro-1-(4-methylphenyl)sulfonylindazole
CID 132915435
[(2S)-1-[1-(benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]-3-hydroxypropan-2-yl] carbamate
CID 175124343
6-(benzenesulfonyl)-3,6-diazabicyclo[3.2.0]heptane-3-carboxylic acid
CID 123544710
1-(benzenesulfonyl)indazole-4-carbaldehyde
CID 59177951
azepan-1-yl-[5-[1-(benzenesulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]methanone
CID 160628943
tert-butyl 3-[1-(benzenesulfonyl)indazol-4-yl]oxypyrrolidine-1-carboxylate
CID 22643433
3-(1-methyl-2-oxoquinolin-6-yl)pyrrolidine-1-carboxylic acid
CID 91546423
indazole-1-sulfonyl chloride
CID 87951720

Frequently Asked Questions

What is the IUPAC name of 3-[1-(benzenesulfonyl)indazol-5-yl]azetidine-1-carboxylic acid?
The IUPAC name of 3-[1-(benzenesulfonyl)indazol-5-yl]azetidine-1-carboxylic acid (CID 141221133) is 3-[1-(benzenesulfonyl)indazol-5-yl]azetidine-1-carboxylic acid.
What is the SMILES notation for 3-[1-(benzenesulfonyl)indazol-5-yl]azetidine-1-carboxylic acid?
The canonical SMILES for 3-[1-(benzenesulfonyl)indazol-5-yl]azetidine-1-carboxylic acid is O=C(O)N1CC(c2ccc3c(cnn3S(=O)(=O)c3ccccc3)c2)C1.
What is the InChIKey of 3-[1-(benzenesulfonyl)indazol-5-yl]azetidine-1-carboxylic acid?
The InChIKey is FLKCMCCPDZQFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4S/c21-17(22)19-10-14(11-19)12-6-7-16-13(8-12)9-18-20(16)25(23,24)15-4-2-1-3-5-15/h1-9,14H,10-11H2,(H,21,22).
What are the key properties of 3-[1-(benzenesulfonyl)indazol-5-yl]azetidine-1-carboxylic acid?
3-[1-(benzenesulfonyl)indazol-5-yl]azetidine-1-carboxylic acid has a molecular weight of 357.39 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(benzenesulfonyl)indazol-5-yl]azetidine-1-carboxylic acid is sourced from PubChem (CID 141221133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).