1-(2-chloro-4-cyanophenyl)-5-oxopyrrolidine-3-sulfonamide

C11H10ClN3O3S — CID 168718905

IUPAC1-(2-chloro-4-cyanophenyl)-5-oxopyrrolidine-3-sulfonamide
SMILESN#Cc1ccc(N2CC(S(N)(=O)=O)CC2=O)c(Cl)c1
InChIInChI=1S/C11H10ClN3O3S/c12-9-3-7(5-13)1-2-10(9)15-6-8(4-11(15)16)19(14,17)18/h1-3,8H,4,6H2,(H2,14,17,18)
InChIKeyKEBIDIFTBPVFKF-UHFFFAOYSA-N
MW299.74 g/mol
LogP0.61
Rot. Bonds2

About 1-(2-chloro-4-cyanophenyl)-5-oxopyrrolidine-3-sulfonamide

1-(2-chloro-4-cyanophenyl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168718905) has the molecular formula C11H10ClN3O3S and a molecular weight of 299.74 g/mol. Its IUPAC name is 1-(2-chloro-4-cyanophenyl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(2-chloro-4-cyanophenyl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID168718905
Molecular FormulaC11H10ClN3O3S
Molecular Weight299.74 g/mol
Exact Mass299.01
IUPAC Name1-(2-chloro-4-cyanophenyl)-5-oxopyrrolidine-3-sulfonamide
SMILESN#Cc1ccc(N2CC(S(N)(=O)=O)CC2=O)c(Cl)c1
InChIInChI=1S/C11H10ClN3O3S/c12-9-3-7(5-13)1-2-10(9)15-6-8(4-11(15)16)19(14,17)18/h1-3,8H,4,6H2,(H2,14,17,18)
InChIKeyKEBIDIFTBPVFKF-UHFFFAOYSA-N
XLogP0.61
TPSA104.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.74
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-cyanophenyl)-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-(2-chloro-4-cyanophenyl)-5-oxopyrrolidine-3-sulfonamide (CID 168718905) is 1-(2-chloro-4-cyanophenyl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(2-chloro-4-cyanophenyl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(2-chloro-4-cyanophenyl)-5-oxopyrrolidine-3-sulfonamide is N#Cc1ccc(N2CC(S(N)(=O)=O)CC2=O)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-cyanophenyl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is KEBIDIFTBPVFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O3S/c12-9-3-7(5-13)1-2-10(9)15-6-8(4-11(15)16)19(14,17)18/h1-3,8H,4,6H2,(H2,14,17,18).
What are the key properties of 1-(2-chloro-4-cyanophenyl)-5-oxopyrrolidine-3-sulfonamide?
1-(2-chloro-4-cyanophenyl)-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 299.74 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-cyanophenyl)-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168718905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).