5-oxo-1-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrrolidine-3-sulfonamide

C11H11N3O5S — CID 168718761

IUPAC5-oxo-1-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2ccc3oc(=O)[nH]c3c2)C1
InChIInChI=1S/C11H11N3O5S/c12-20(17,18)7-4-10(15)14(5-7)6-1-2-9-8(3-6)13-11(16)19-9/h1-3,7H,4-5H2,(H,13,16)(H2,12,17,18)
InChIKeySKAYRPHDHQXZIT-UHFFFAOYSA-N
MW297.29 g/mol
LogP-0.49
Rot. Bonds2

About 5-oxo-1-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrrolidine-3-sulfonamide

5-oxo-1-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrrolidine-3-sulfonamide (PubChem CID 168718761) has the molecular formula C11H11N3O5S and a molecular weight of 297.29 g/mol. Its IUPAC name is 5-oxo-1-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name5-oxo-1-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrrolidine-3-sulfonamide
PubChem CID168718761
Molecular FormulaC11H11N3O5S
Molecular Weight297.29 g/mol
Exact Mass297.04
IUPAC Name5-oxo-1-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2ccc3oc(=O)[nH]c3c2)C1
InChIInChI=1S/C11H11N3O5S/c12-20(17,18)7-4-10(15)14(5-7)6-1-2-9-8(3-6)13-11(16)19-9/h1-3,7H,4-5H2,(H,13,16)(H2,12,17,18)
InChIKeySKAYRPHDHQXZIT-UHFFFAOYSA-N
XLogP-0.49
TPSA126.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-hydroxy-2-oxopyrrolidin-1-yl)-3H-1,3-benzoxazol-2-one
CID 168703375
1-(3,4-dibromophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718706
1-(3-bromo-4-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718709
1-[4-fluoro-3-(hydroxymethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718735
1-(3-methyl-4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717645
1-(2-chloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168719282
5-oxo-1-(2-oxo-3H-1,3-benzoxazol-6-yl)pyrrolidine-3-carboxylic acid
CID 56695595
5-[5-(2-aminoethyl)-2-oxo-1,3-oxazolidin-3-yl]-3H-1,3-benzoxazol-2-one
CID 82379948
1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717870
5-oxo-1-pyridin-4-ylpyrrolidine-3-sulfonamide
CID 168719467
1-(4-ethynylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168716761
1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717113

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrrolidine-3-sulfonamide?
The IUPAC name of 5-oxo-1-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrrolidine-3-sulfonamide (CID 168718761) is 5-oxo-1-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrrolidine-3-sulfonamide.
What is the SMILES notation for 5-oxo-1-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrrolidine-3-sulfonamide?
The canonical SMILES for 5-oxo-1-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrrolidine-3-sulfonamide is NS(=O)(=O)C1CC(=O)N(c2ccc3oc(=O)[nH]c3c2)C1.
What is the InChIKey of 5-oxo-1-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrrolidine-3-sulfonamide?
The InChIKey is SKAYRPHDHQXZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O5S/c12-20(17,18)7-4-10(15)14(5-7)6-1-2-9-8(3-6)13-11(16)19-9/h1-3,7H,4-5H2,(H,13,16)(H2,12,17,18).
What are the key properties of 5-oxo-1-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrrolidine-3-sulfonamide?
5-oxo-1-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrrolidine-3-sulfonamide has a molecular weight of 297.29 g/mol, XLogP of -0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrrolidine-3-sulfonamide is sourced from PubChem (CID 168718761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).