1-(1,7-naphthyridin-8-yl)-5-oxopyrrolidine-3-sulfonyl chloride

C12H10ClN3O3S — CID 168712978

IUPAC1-(1,7-naphthyridin-8-yl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESO=C1CC(S(=O)(=O)Cl)CN1c1nccc2cccnc12
InChIInChI=1S/C12H10ClN3O3S/c13-20(18,19)9-6-10(17)16(7-9)12-11-8(3-5-15-12)2-1-4-14-11/h1-5,9H,6-7H2
InChIKeyMBJIGWQMWSWZLB-UHFFFAOYSA-N
MW311.75 g/mol
LogP1.30
Rot. Bonds2

About 1-(1,7-naphthyridin-8-yl)-5-oxopyrrolidine-3-sulfonyl chloride

1-(1,7-naphthyridin-8-yl)-5-oxopyrrolidine-3-sulfonyl chloride (PubChem CID 168712978) has the molecular formula C12H10ClN3O3S and a molecular weight of 311.75 g/mol. Its IUPAC name is 1-(1,7-naphthyridin-8-yl)-5-oxopyrrolidine-3-sulfonyl chloride.

Molecular Properties

Compound Name1-(1,7-naphthyridin-8-yl)-5-oxopyrrolidine-3-sulfonyl chloride
PubChem CID168712978
Molecular FormulaC12H10ClN3O3S
Molecular Weight311.75 g/mol
Exact Mass311.01
IUPAC Name1-(1,7-naphthyridin-8-yl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESO=C1CC(S(=O)(=O)Cl)CN1c1nccc2cccnc12
InChIInChI=1S/C12H10ClN3O3S/c13-20(18,19)9-6-10(17)16(7-9)12-11-8(3-5-15-12)2-1-4-14-11/h1-5,9H,6-7H2
InChIKeyMBJIGWQMWSWZLB-UHFFFAOYSA-N
XLogP1.30
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.75
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-isoquinolin-1-yl-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712977
[1-(1,7-naphthyridin-8-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683370
1-(3-ethyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711290
5-oxo-1-(1,10-phenanthrolin-5-yl)pyrrolidine-3-sulfonyl chloride
CID 168712719
4-(bromomethyl)-1-(1,7-naphthyridin-8-yl)pyrrolidin-2-one
CID 168506372
5-oxo-1-pyrimidin-2-ylpyrrolidine-3-sulfonyl chloride
CID 168712980
1-(2-chloro-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712878
1-(2,5-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712631
5-oxo-1-(quinolin-7-ylmethyl)pyrrolidine-3-sulfonyl chloride
CID 168712210
4-chloro-1-quinolin-8-ylpyrrolidin-2-one
CID 168689599
1-[(2-chloro-3-pyridinyl)methyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712228
1-(2-cyano-4-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712748

Frequently Asked Questions

What is the IUPAC name of 1-(1,7-naphthyridin-8-yl)-5-oxopyrrolidine-3-sulfonyl chloride?
The IUPAC name of 1-(1,7-naphthyridin-8-yl)-5-oxopyrrolidine-3-sulfonyl chloride (CID 168712978) is 1-(1,7-naphthyridin-8-yl)-5-oxopyrrolidine-3-sulfonyl chloride.
What is the SMILES notation for 1-(1,7-naphthyridin-8-yl)-5-oxopyrrolidine-3-sulfonyl chloride?
The canonical SMILES for 1-(1,7-naphthyridin-8-yl)-5-oxopyrrolidine-3-sulfonyl chloride is O=C1CC(S(=O)(=O)Cl)CN1c1nccc2cccnc12.
What is the InChIKey of 1-(1,7-naphthyridin-8-yl)-5-oxopyrrolidine-3-sulfonyl chloride?
The InChIKey is MBJIGWQMWSWZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O3S/c13-20(18,19)9-6-10(17)16(7-9)12-11-8(3-5-15-12)2-1-4-14-11/h1-5,9H,6-7H2.
What are the key properties of 1-(1,7-naphthyridin-8-yl)-5-oxopyrrolidine-3-sulfonyl chloride?
1-(1,7-naphthyridin-8-yl)-5-oxopyrrolidine-3-sulfonyl chloride has a molecular weight of 311.75 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,7-naphthyridin-8-yl)-5-oxopyrrolidine-3-sulfonyl chloride is sourced from PubChem (CID 168712978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).