1-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonamide

C10H10ClN5O3S — CID 168719556

IUPAC1-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2nc(Cl)c3cc[nH]c3n2)C1
InChIInChI=1S/C10H10ClN5O3S/c11-8-6-1-2-13-9(6)15-10(14-8)16-4-5(3-7(16)17)20(12,18)19/h1-2,5H,3-4H2,(H2,12,18,19)(H,13,14,15)
InChIKeyNOSBKHMZHHGVOJ-UHFFFAOYSA-N
MW315.74 g/mol
LogP0.01
Rot. Bonds2

About 1-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonamide

1-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168719556) has the molecular formula C10H10ClN5O3S and a molecular weight of 315.74 g/mol. Its IUPAC name is 1-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID168719556
Molecular FormulaC10H10ClN5O3S
Molecular Weight315.74 g/mol
Exact Mass315.02
IUPAC Name1-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2nc(Cl)c3cc[nH]c3n2)C1
InChIInChI=1S/C10H10ClN5O3S/c11-8-6-1-2-13-9(6)15-10(14-8)16-4-5(3-7(16)17)20(12,18)19/h1-2,5H,3-4H2,(H2,12,18,19)(H,13,14,15)
InChIKeyNOSBKHMZHHGVOJ-UHFFFAOYSA-N
XLogP0.01
TPSA122.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.74
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonamide with MolForge

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Related Compounds

1-(4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719537
4-(azidomethyl)-1-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-yl)pyrrolidin-2-one
CID 168658560
1-(5-bromo-4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712655
1-(2-chloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168719282
5-oxo-1-(1,3,5-triazin-2-yl)pyrrolidine-3-sulfonamide
CID 168719634
1-(4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712929
1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168717516
1-(6-chloro-2-methyl-3-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717778
1-(5-bromo-3-chloropyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719093
1-(5-amino-2-chloropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719034
1-(6-chloro-2-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168717981
1-(2-chloro-6-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168717979

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonamide (CID 168719556) is 1-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonamide is NS(=O)(=O)C1CC(=O)N(c2nc(Cl)c3cc[nH]c3n2)C1.
What is the InChIKey of 1-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is NOSBKHMZHHGVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O3S/c11-8-6-1-2-13-9(6)15-10(14-8)16-4-5(3-7(16)17)20(12,18)19/h1-2,5H,3-4H2,(H2,12,18,19)(H,13,14,15).
What are the key properties of 1-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonamide?
1-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 315.74 g/mol, XLogP of 0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168719556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).