5-oxo-1-(3-phenylmethoxy-2-pyridinyl)pyrrolidine-3-sulfonamide

C16H17N3O4S — CID 168719114

IUPAC5-oxo-1-(3-phenylmethoxy-2-pyridinyl)pyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2ncccc2OCc2ccccc2)C1
InChIInChI=1S/C16H17N3O4S/c17-24(21,22)13-9-15(20)19(10-13)16-14(7-4-8-18-16)23-11-12-5-2-1-3-6-12/h1-8,13H,9-11H2,(H2,17,21,22)
InChIKeyBYBDFAPBVQHGFA-UHFFFAOYSA-N
MW347.40 g/mol
LogP1.05
Rot. Bonds5

About 5-oxo-1-(3-phenylmethoxy-2-pyridinyl)pyrrolidine-3-sulfonamide

5-oxo-1-(3-phenylmethoxy-2-pyridinyl)pyrrolidine-3-sulfonamide (PubChem CID 168719114) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is 5-oxo-1-(3-phenylmethoxy-2-pyridinyl)pyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name5-oxo-1-(3-phenylmethoxy-2-pyridinyl)pyrrolidine-3-sulfonamide
PubChem CID168719114
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC Name5-oxo-1-(3-phenylmethoxy-2-pyridinyl)pyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2ncccc2OCc2ccccc2)C1
InChIInChI=1S/C16H17N3O4S/c17-24(21,22)13-9-15(20)19(10-13)16-14(7-4-8-18-16)23-11-12-5-2-1-3-6-12/h1-8,13H,9-11H2,(H2,17,21,22)
InChIKeyBYBDFAPBVQHGFA-UHFFFAOYSA-N
XLogP1.05
TPSA102.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethenyl-1-(3-phenylmethoxy-2-pyridinyl)pyrrolidin-2-one
CID 168686191
5-oxo-1-pyridin-2-ylpyrrolidine-3-sulfonamide
CID 168719616
5-oxo-1-[2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-3-sulfonamide
CID 168719005
1-(3-ethyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711290
6,13-bis(3-phenylmethoxy-2-pyridinyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 58995891
5-oxo-1-(1,3,5-triazin-2-yl)pyrrolidine-3-sulfonamide
CID 168719634
5-oxo-1-pyridin-4-ylpyrrolidine-3-sulfonamide
CID 168719467
1-(3-amino-6-bromopyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719062
1-(1,7-naphthyridin-8-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712978
1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717113
8-phenylmethoxyquinoline-5-sulfonamide
CID 60758024
4-(3-phenylmethoxy-2-pyridinyl)pyrrolidin-2-one
CID 15110932

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(3-phenylmethoxy-2-pyridinyl)pyrrolidine-3-sulfonamide?
The IUPAC name of 5-oxo-1-(3-phenylmethoxy-2-pyridinyl)pyrrolidine-3-sulfonamide (CID 168719114) is 5-oxo-1-(3-phenylmethoxy-2-pyridinyl)pyrrolidine-3-sulfonamide.
What is the SMILES notation for 5-oxo-1-(3-phenylmethoxy-2-pyridinyl)pyrrolidine-3-sulfonamide?
The canonical SMILES for 5-oxo-1-(3-phenylmethoxy-2-pyridinyl)pyrrolidine-3-sulfonamide is NS(=O)(=O)C1CC(=O)N(c2ncccc2OCc2ccccc2)C1.
What is the InChIKey of 5-oxo-1-(3-phenylmethoxy-2-pyridinyl)pyrrolidine-3-sulfonamide?
The InChIKey is BYBDFAPBVQHGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S/c17-24(21,22)13-9-15(20)19(10-13)16-14(7-4-8-18-16)23-11-12-5-2-1-3-6-12/h1-8,13H,9-11H2,(H2,17,21,22).
What are the key properties of 5-oxo-1-(3-phenylmethoxy-2-pyridinyl)pyrrolidine-3-sulfonamide?
5-oxo-1-(3-phenylmethoxy-2-pyridinyl)pyrrolidine-3-sulfonamide has a molecular weight of 347.40 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(3-phenylmethoxy-2-pyridinyl)pyrrolidine-3-sulfonamide is sourced from PubChem (CID 168719114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).