1-[(4-chloro-2-pyridinyl)methyl]-5-oxopyrrolidine-3-sulfonamide

C10H12ClN3O3S — CID 168718434

IUPAC1-[(4-chloro-2-pyridinyl)methyl]-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(Cc2cc(Cl)ccn2)C1
InChIInChI=1S/C10H12ClN3O3S/c11-7-1-2-13-8(3-7)5-14-6-9(4-10(14)15)18(12,16)17/h1-3,9H,4-6H2,(H2,12,16,17)
InChIKeyPSCGRIFPIOVSTB-UHFFFAOYSA-N
MW289.74 g/mol
LogP0.12
Rot. Bonds3

About 1-[(4-chloro-2-pyridinyl)methyl]-5-oxopyrrolidine-3-sulfonamide

1-[(4-chloro-2-pyridinyl)methyl]-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168718434) has the molecular formula C10H12ClN3O3S and a molecular weight of 289.74 g/mol. Its IUPAC name is 1-[(4-chloro-2-pyridinyl)methyl]-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-[(4-chloro-2-pyridinyl)methyl]-5-oxopyrrolidine-3-sulfonamide
PubChem CID168718434
Molecular FormulaC10H12ClN3O3S
Molecular Weight289.74 g/mol
Exact Mass289.03
IUPAC Name1-[(4-chloro-2-pyridinyl)methyl]-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(Cc2cc(Cl)ccn2)C1
InChIInChI=1S/C10H12ClN3O3S/c11-7-1-2-13-8(3-7)5-14-6-9(4-10(14)15)18(12,16)17/h1-3,9H,4-6H2,(H2,12,16,17)
InChIKeyPSCGRIFPIOVSTB-UHFFFAOYSA-N
XLogP0.12
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-oxo-1-(pyrazin-2-ylmethyl)pyrrolidine-3-sulfonamide
CID 168718437
1-[(6-bromo-3-pyridinyl)methyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718330
1-(2-chloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168719282
1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718294
1-[(2-chloro-3-fluorophenyl)methyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718393
1-[(2-bromo-5-fluorophenyl)methyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718297
5-oxo-1-(quinolin-3-ylmethyl)pyrrolidine-3-sulfonamide
CID 168718375
5-oxo-1-(1H-pyrrol-2-ylmethyl)pyrrolidine-3-sulfonamide
CID 168718383
1-(1-benzofuran-5-ylmethyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718315
1-[(5-bromo-2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonamide
CID 168717385
1-[(5-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-sulfonamide
CID 168717902
1-[(4-chloro-2-pyridinyl)methyl]azetidin-3-ol
CID 79245723

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-2-pyridinyl)methyl]-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-[(4-chloro-2-pyridinyl)methyl]-5-oxopyrrolidine-3-sulfonamide (CID 168718434) is 1-[(4-chloro-2-pyridinyl)methyl]-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-[(4-chloro-2-pyridinyl)methyl]-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-[(4-chloro-2-pyridinyl)methyl]-5-oxopyrrolidine-3-sulfonamide is NS(=O)(=O)C1CC(=O)N(Cc2cc(Cl)ccn2)C1.
What is the InChIKey of 1-[(4-chloro-2-pyridinyl)methyl]-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is PSCGRIFPIOVSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O3S/c11-7-1-2-13-8(3-7)5-14-6-9(4-10(14)15)18(12,16)17/h1-3,9H,4-6H2,(H2,12,16,17).
What are the key properties of 1-[(4-chloro-2-pyridinyl)methyl]-5-oxopyrrolidine-3-sulfonamide?
1-[(4-chloro-2-pyridinyl)methyl]-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 289.74 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-2-pyridinyl)methyl]-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168718434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).