N-(2-ethenoxyethyl)-4-[(3R)-5-oxopyrrolidin-3-yl]benzenesulfonamide

C14H18N2O4S — CID 42554485

IUPACN-(2-ethenoxyethyl)-4-[(3R)-5-oxopyrrolidin-3-yl]benzenesulfonamide
SMILESC=COCCNS(=O)(=O)c1ccc([C@@H]2CNC(=O)C2)cc1
InChIInChI=1S/C14H18N2O4S/c1-2-20-8-7-16-21(18,19)13-5-3-11(4-6-13)12-9-14(17)15-10-12/h2-6,12,16H,1,7-10H2,(H,15,17)/t12-/m0/s1
InChIKeyYOOKYBSDWCQGKL-LBPRGKRZSA-N
MW310.38 g/mol
LogP0.73
Rot. Bonds7

About N-(2-ethenoxyethyl)-4-[(3R)-5-oxopyrrolidin-3-yl]benzenesulfonamide

N-(2-ethenoxyethyl)-4-[(3R)-5-oxopyrrolidin-3-yl]benzenesulfonamide (PubChem CID 42554485) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is N-(2-ethenoxyethyl)-4-[(3R)-5-oxopyrrolidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethenoxyethyl)-4-[(3R)-5-oxopyrrolidin-3-yl]benzenesulfonamide
PubChem CID42554485
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC NameN-(2-ethenoxyethyl)-4-[(3R)-5-oxopyrrolidin-3-yl]benzenesulfonamide
SMILESC=COCCNS(=O)(=O)c1ccc([C@@H]2CNC(=O)C2)cc1
InChIInChI=1S/C14H18N2O4S/c1-2-20-8-7-16-21(18,19)13-5-3-11(4-6-13)12-9-14(17)15-10-12/h2-6,12,16H,1,7-10H2,(H,15,17)/t12-/m0/s1
InChIKeyYOOKYBSDWCQGKL-LBPRGKRZSA-N
XLogP0.73
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethenoxyethyl)-4-[(3R)-5-oxopyrrolidin-3-yl]benzenesulfonamide?
The IUPAC name of N-(2-ethenoxyethyl)-4-[(3R)-5-oxopyrrolidin-3-yl]benzenesulfonamide (CID 42554485) is N-(2-ethenoxyethyl)-4-[(3R)-5-oxopyrrolidin-3-yl]benzenesulfonamide.
What is the SMILES notation for N-(2-ethenoxyethyl)-4-[(3R)-5-oxopyrrolidin-3-yl]benzenesulfonamide?
The canonical SMILES for N-(2-ethenoxyethyl)-4-[(3R)-5-oxopyrrolidin-3-yl]benzenesulfonamide is C=COCCNS(=O)(=O)c1ccc([C@@H]2CNC(=O)C2)cc1.
What is the InChIKey of N-(2-ethenoxyethyl)-4-[(3R)-5-oxopyrrolidin-3-yl]benzenesulfonamide?
The InChIKey is YOOKYBSDWCQGKL-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-2-20-8-7-16-21(18,19)13-5-3-11(4-6-13)12-9-14(17)15-10-12/h2-6,12,16H,1,7-10H2,(H,15,17)/t12-/m0/s1.
What are the key properties of N-(2-ethenoxyethyl)-4-[(3R)-5-oxopyrrolidin-3-yl]benzenesulfonamide?
N-(2-ethenoxyethyl)-4-[(3R)-5-oxopyrrolidin-3-yl]benzenesulfonamide has a molecular weight of 310.38 g/mol, XLogP of 0.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethenoxyethyl)-4-[(3R)-5-oxopyrrolidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 42554485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).