2-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-5-sulfonamide

C10H12ClN3O3S — CID 80715203

IUPAC2-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-5-sulfonamide
SMILESO=S(=O)(NC1CC2CCC1O2)c1cnc(Cl)nc1
InChIInChI=1S/C10H12ClN3O3S/c11-10-12-4-7(5-13-10)18(15,16)14-8-3-6-1-2-9(8)17-6/h4-6,8-9,14H,1-3H2
InChIKeyLGFVUEFONAGUAF-UHFFFAOYSA-N
MW289.74 g/mol
LogP0.73
Rot. Bonds3

About 2-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-5-sulfonamide

2-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-5-sulfonamide (PubChem CID 80715203) has the molecular formula C10H12ClN3O3S and a molecular weight of 289.74 g/mol. Its IUPAC name is 2-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-5-sulfonamide
PubChem CID80715203
Molecular FormulaC10H12ClN3O3S
Molecular Weight289.74 g/mol
Exact Mass289.03
IUPAC Name2-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-5-sulfonamide
SMILESO=S(=O)(NC1CC2CCC1O2)c1cnc(Cl)nc1
InChIInChI=1S/C10H12ClN3O3S/c11-10-12-4-7(5-13-10)18(15,16)14-8-3-6-1-2-9(8)17-6/h4-6,8-9,14H,1-3H2
InChIKeyLGFVUEFONAGUAF-UHFFFAOYSA-N
XLogP0.73
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-5-sulfonamide (CID 80715203) is 2-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-5-sulfonamide is O=S(=O)(NC1CC2CCC1O2)c1cnc(Cl)nc1.
What is the InChIKey of 2-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-5-sulfonamide?
The InChIKey is LGFVUEFONAGUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O3S/c11-10-12-4-7(5-13-10)18(15,16)14-8-3-6-1-2-9(8)17-6/h4-6,8-9,14H,1-3H2.
What are the key properties of 2-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-5-sulfonamide?
2-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-5-sulfonamide has a molecular weight of 289.74 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 80715203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).