3-propan-2-ylpyridine-2-sulfonamide

C8H12N2O2S — CID 66730566

IUPAC3-propan-2-ylpyridine-2-sulfonamide
SMILESCC(C)c1cccnc1S(N)(=O)=O
InChIInChI=1S/C8H12N2O2S/c1-6(2)7-4-3-5-10-8(7)13(9,11)12/h3-6H,1-2H3,(H2,9,11,12)
InChIKeyJRUFWBQJCFTNOK-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.85
Rot. Bonds2

About 3-propan-2-ylpyridine-2-sulfonamide

3-propan-2-ylpyridine-2-sulfonamide (PubChem CID 66730566) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 3-propan-2-ylpyridine-2-sulfonamide.

Molecular Properties

Compound Name3-propan-2-ylpyridine-2-sulfonamide
PubChem CID66730566
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name3-propan-2-ylpyridine-2-sulfonamide
SMILESCC(C)c1cccnc1S(N)(=O)=O
InChIInChI=1S/C8H12N2O2S/c1-6(2)7-4-3-5-10-8(7)13(9,11)12/h3-6H,1-2H3,(H2,9,11,12)
InChIKeyJRUFWBQJCFTNOK-UHFFFAOYSA-N
XLogP0.85
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Trifluoromethyl)pyridine-2-sulfonamide
CID 13910921
1-Tosylpyrrole
CID 640087
4-Methyl-N-pyridin-2-ylmethyl-benzenesulfonamide
CID 731623
4-Methyl-N-pyridin-3-YL-benzenesulfonamide
CID 757406
4-Pyridin-3-ylbenzenesulfonamide
CID 110453853
2,4,6-trimethyl-N-(3-pyridinylmethyl)benzenesulfonamide
CID 676052
4-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 688002
4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 795996
4-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 651192
Pyridine sulfonamide
CID 12000791
Pyridine-3-sulfonamide
CID 232710
3-(Piperidin-1-ylsulphonyl)pyridine
CID 3623948

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-ylpyridine-2-sulfonamide?
The IUPAC name of 3-propan-2-ylpyridine-2-sulfonamide (CID 66730566) is 3-propan-2-ylpyridine-2-sulfonamide.
What is the SMILES notation for 3-propan-2-ylpyridine-2-sulfonamide?
The canonical SMILES for 3-propan-2-ylpyridine-2-sulfonamide is CC(C)c1cccnc1S(N)(=O)=O.
What is the InChIKey of 3-propan-2-ylpyridine-2-sulfonamide?
The InChIKey is JRUFWBQJCFTNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-6(2)7-4-3-5-10-8(7)13(9,11)12/h3-6H,1-2H3,(H2,9,11,12).
What are the key properties of 3-propan-2-ylpyridine-2-sulfonamide?
3-propan-2-ylpyridine-2-sulfonamide has a molecular weight of 200.26 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylpyridine-2-sulfonamide is sourced from PubChem (CID 66730566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).