1-naphthalen-1-ylsulfonylazetidine-3-carboxylic acid

C14H13NO4S — CID 114533548

IUPAC1-naphthalen-1-ylsulfonylazetidine-3-carboxylic acid
SMILESO=C(O)C1CN(S(=O)(=O)c2cccc3ccccc23)C1
InChIInChI=1S/C14H13NO4S/c16-14(17)11-8-15(9-11)20(18,19)13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11H,8-9H2,(H,16,17)
InChIKeyFXGWRHFLOXDQDU-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.54
Rot. Bonds3

About 1-naphthalen-1-ylsulfonylazetidine-3-carboxylic acid

1-naphthalen-1-ylsulfonylazetidine-3-carboxylic acid (PubChem CID 114533548) has the molecular formula C14H13NO4S and a molecular weight of 291.33 g/mol. Its IUPAC name is 1-naphthalen-1-ylsulfonylazetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-naphthalen-1-ylsulfonylazetidine-3-carboxylic acid
PubChem CID114533548
Molecular FormulaC14H13NO4S
Molecular Weight291.33 g/mol
Exact Mass291.06
IUPAC Name1-naphthalen-1-ylsulfonylazetidine-3-carboxylic acid
SMILESO=C(O)C1CN(S(=O)(=O)c2cccc3ccccc23)C1
InChIInChI=1S/C14H13NO4S/c16-14(17)11-8-15(9-11)20(18,19)13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11H,8-9H2,(H,16,17)
InChIKeyFXGWRHFLOXDQDU-UHFFFAOYSA-N
XLogP1.54
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-4-fluoro-1-naphthalen-1-ylsulfonylpyrrolidin-3-ol
CID 131909896
1-naphthalen-1-ylsulfonylpyrrolidine-2-carboxylic acid
CID 14315681
4-naphthalen-1-ylsulfonyl-4-azaspiro[2.5]octane-7-carboxylic acid
CID 166270228
cyclopentyl-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone
CID 24945401
4-naphthalen-1-ylsulfonylpiperazine-2,6-dione
CID 114795554
1-naphthalen-1-ylsulfonylpiperazine
CID 42626101
2-(1-isoquinolin-5-ylsulfonylazetidin-3-yl)acetic acid
CID 64616827
4-(benzenesulfonyl)-1-naphthalen-1-ylsulfonylpiperidine
CID 90589478
(1S,9R)-11-naphthalen-1-ylsulfonyl-2,11-diazatricyclo[7.3.1.02,7]trideca-4,6-dien-3-one
CID 165367602
2-(1-naphthalen-1-ylsulfonylazetidin-3-yl)oxy-1,3-thiazole
CID 90627732
1-(2-chlorophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63030799
3-(2-chloroethyl)-1-naphthalen-1-ylsulfonylpyrrolidine
CID 114801891

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-ylsulfonylazetidine-3-carboxylic acid?
The IUPAC name of 1-naphthalen-1-ylsulfonylazetidine-3-carboxylic acid (CID 114533548) is 1-naphthalen-1-ylsulfonylazetidine-3-carboxylic acid.
What is the SMILES notation for 1-naphthalen-1-ylsulfonylazetidine-3-carboxylic acid?
The canonical SMILES for 1-naphthalen-1-ylsulfonylazetidine-3-carboxylic acid is O=C(O)C1CN(S(=O)(=O)c2cccc3ccccc23)C1.
What is the InChIKey of 1-naphthalen-1-ylsulfonylazetidine-3-carboxylic acid?
The InChIKey is FXGWRHFLOXDQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4S/c16-14(17)11-8-15(9-11)20(18,19)13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11H,8-9H2,(H,16,17).
What are the key properties of 1-naphthalen-1-ylsulfonylazetidine-3-carboxylic acid?
1-naphthalen-1-ylsulfonylazetidine-3-carboxylic acid has a molecular weight of 291.33 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-ylsulfonylazetidine-3-carboxylic acid is sourced from PubChem (CID 114533548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).