N-tert-butyl-3-ethylpyridine-2-sulfonamide

C11H18N2O2S — CID 117064164

IUPACN-tert-butyl-3-ethylpyridine-2-sulfonamide
SMILESCCc1cccnc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C11H18N2O2S/c1-5-9-7-6-8-12-10(9)16(14,15)13-11(2,3)4/h6-8,13H,5H2,1-4H3
InChIKeyWLQMNMPRIZFMNG-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.72
Rot. Bonds3

About N-tert-butyl-3-ethylpyridine-2-sulfonamide

N-tert-butyl-3-ethylpyridine-2-sulfonamide (PubChem CID 117064164) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is N-tert-butyl-3-ethylpyridine-2-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-3-ethylpyridine-2-sulfonamide
PubChem CID117064164
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC NameN-tert-butyl-3-ethylpyridine-2-sulfonamide
SMILESCCc1cccnc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C11H18N2O2S/c1-5-9-7-6-8-12-10(9)16(14,15)13-11(2,3)4/h6-8,13H,5H2,1-4H3
InChIKeyWLQMNMPRIZFMNG-UHFFFAOYSA-N
XLogP1.72
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-ethylpyridine-2-sulfonamide?
The IUPAC name of N-tert-butyl-3-ethylpyridine-2-sulfonamide (CID 117064164) is N-tert-butyl-3-ethylpyridine-2-sulfonamide.
What is the SMILES notation for N-tert-butyl-3-ethylpyridine-2-sulfonamide?
The canonical SMILES for N-tert-butyl-3-ethylpyridine-2-sulfonamide is CCc1cccnc1S(=O)(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-ethylpyridine-2-sulfonamide?
The InChIKey is WLQMNMPRIZFMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-5-9-7-6-8-12-10(9)16(14,15)13-11(2,3)4/h6-8,13H,5H2,1-4H3.
What are the key properties of N-tert-butyl-3-ethylpyridine-2-sulfonamide?
N-tert-butyl-3-ethylpyridine-2-sulfonamide has a molecular weight of 242.34 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-ethylpyridine-2-sulfonamide is sourced from PubChem (CID 117064164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).