4-(2-ethyl-3-pyridinyl)benzenesulfonamide

C13H14N2O2S — CID 135215763

IUPAC4-(2-ethyl-3-pyridinyl)benzenesulfonamide
SMILESCCc1ncccc1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H14N2O2S/c1-2-13-12(4-3-9-15-13)10-5-7-11(8-6-10)18(14,16)17/h3-9H,2H2,1H3,(H2,14,16,17)
InChIKeyRWSXRYCHFWWRRR-UHFFFAOYSA-N
MW262.33 g/mol
LogP1.96
Rot. Bonds3

About 4-(2-ethyl-3-pyridinyl)benzenesulfonamide

4-(2-ethyl-3-pyridinyl)benzenesulfonamide (PubChem CID 135215763) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 4-(2-ethyl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-ethyl-3-pyridinyl)benzenesulfonamide
PubChem CID135215763
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name4-(2-ethyl-3-pyridinyl)benzenesulfonamide
SMILESCCc1ncccc1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H14N2O2S/c1-2-13-12(4-3-9-15-13)10-5-7-11(8-6-10)18(14,16)17/h3-9H,2H2,1H3,(H2,14,16,17)
InChIKeyRWSXRYCHFWWRRR-UHFFFAOYSA-N
XLogP1.96
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-(2-ethyl-3-pyridinyl)benzenesulfonamide (CID 135215763) is 4-(2-ethyl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-ethyl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-(2-ethyl-3-pyridinyl)benzenesulfonamide is CCc1ncccc1-c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-(2-ethyl-3-pyridinyl)benzenesulfonamide?
The InChIKey is RWSXRYCHFWWRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-2-13-12(4-3-9-15-13)10-5-7-11(8-6-10)18(14,16)17/h3-9H,2H2,1H3,(H2,14,16,17).
What are the key properties of 4-(2-ethyl-3-pyridinyl)benzenesulfonamide?
4-(2-ethyl-3-pyridinyl)benzenesulfonamide has a molecular weight of 262.33 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 135215763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).