N-ethylpyrimidine-2-sulfonamide

C6H9N3O2S — CID 71635439

IUPACN-ethylpyrimidine-2-sulfonamide
SMILESCCNS(=O)(=O)c1ncccn1
InChIInChI=1S/C6H9N3O2S/c1-2-9-12(10,11)6-7-4-3-5-8-6/h3-5,9H,2H2,1H3
InChIKeyJFHJDNZPWDTZJT-UHFFFAOYSA-N
MW187.22 g/mol
LogP-0.23
Rot. Bonds3

About N-ethylpyrimidine-2-sulfonamide

N-ethylpyrimidine-2-sulfonamide (PubChem CID 71635439) has the molecular formula C6H9N3O2S and a molecular weight of 187.22 g/mol. Its IUPAC name is N-ethylpyrimidine-2-sulfonamide.

Molecular Properties

Compound NameN-ethylpyrimidine-2-sulfonamide
PubChem CID71635439
Molecular FormulaC6H9N3O2S
Molecular Weight187.22 g/mol
Exact Mass187.04
IUPAC NameN-ethylpyrimidine-2-sulfonamide
SMILESCCNS(=O)(=O)c1ncccn1
InChIInChI=1S/C6H9N3O2S/c1-2-9-12(10,11)6-7-4-3-5-8-6/h3-5,9H,2H2,1H3
InChIKeyJFHJDNZPWDTZJT-UHFFFAOYSA-N
XLogP-0.23
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethylpyrimidine-2-sulfonamide?
The IUPAC name of N-ethylpyrimidine-2-sulfonamide (CID 71635439) is N-ethylpyrimidine-2-sulfonamide.
What is the SMILES notation for N-ethylpyrimidine-2-sulfonamide?
The canonical SMILES for N-ethylpyrimidine-2-sulfonamide is CCNS(=O)(=O)c1ncccn1.
What is the InChIKey of N-ethylpyrimidine-2-sulfonamide?
The InChIKey is JFHJDNZPWDTZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2S/c1-2-9-12(10,11)6-7-4-3-5-8-6/h3-5,9H,2H2,1H3.
What are the key properties of N-ethylpyrimidine-2-sulfonamide?
N-ethylpyrimidine-2-sulfonamide has a molecular weight of 187.22 g/mol, XLogP of -0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylpyrimidine-2-sulfonamide is sourced from PubChem (CID 71635439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).