2-(3-tert-butylphenoxy)pyridine-3-sulfonamide

C15H18N2O3S — CID 115928484

IUPAC2-(3-tert-butylphenoxy)pyridine-3-sulfonamide
SMILESCC(C)(C)c1cccc(Oc2ncccc2S(N)(=O)=O)c1
InChIInChI=1S/C15H18N2O3S/c1-15(2,3)11-6-4-7-12(10-11)20-14-13(21(16,18)19)8-5-9-17-14/h4-10H,1-3H3,(H2,16,18,19)
InChIKeyKAVITVPIOBCANL-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.82
Rot. Bonds3

About 2-(3-tert-butylphenoxy)pyridine-3-sulfonamide

2-(3-tert-butylphenoxy)pyridine-3-sulfonamide (PubChem CID 115928484) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-(3-tert-butylphenoxy)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(3-tert-butylphenoxy)pyridine-3-sulfonamide
PubChem CID115928484
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name2-(3-tert-butylphenoxy)pyridine-3-sulfonamide
SMILESCC(C)(C)c1cccc(Oc2ncccc2S(N)(=O)=O)c1
InChIInChI=1S/C15H18N2O3S/c1-15(2,3)11-6-4-7-12(10-11)20-14-13(21(16,18)19)8-5-9-17-14/h4-10H,1-3H3,(H2,16,18,19)
InChIKeyKAVITVPIOBCANL-UHFFFAOYSA-N
XLogP2.82
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenoxy)pyridine-3-sulfonamide
CID 112572912
2-(3,4-difluorophenoxy)pyridine-3-sulfonamide
CID 112573012
[2-(3-tert-butylphenoxy)-3-pyridinyl]methanamine
CID 43351770
2-(4-methylsulfonylphenoxy)pyridine-3-sulfonamide
CID 115928497
2-(3-bromo-4-fluorophenoxy)pyridine-3-sulfonamide
CID 112573154
2-[(5-chloro-3-pyridinyl)oxy]pyridine-3-sulfonamide
CID 112573090
2-(2-methoxyphenoxy)pyridine-3-sulfonamide
CID 112572908
2-(2,5-dimethylphenoxy)pyridine-3-sulfonamide
CID 112572887
2-[3-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 171049380
2-(2,5-dimethylpyrazol-3-yl)oxypyridine-3-sulfonamide
CID 112573130
[2-(3-tert-butylphenoxy)-3-chloro-4-pyridinyl]methanamine
CID 107056042
2-(1-propylpyrazol-4-yl)oxypyridine-3-sulfonamide
CID 116800430

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylphenoxy)pyridine-3-sulfonamide?
The IUPAC name of 2-(3-tert-butylphenoxy)pyridine-3-sulfonamide (CID 115928484) is 2-(3-tert-butylphenoxy)pyridine-3-sulfonamide.
What is the SMILES notation for 2-(3-tert-butylphenoxy)pyridine-3-sulfonamide?
The canonical SMILES for 2-(3-tert-butylphenoxy)pyridine-3-sulfonamide is CC(C)(C)c1cccc(Oc2ncccc2S(N)(=O)=O)c1.
What is the InChIKey of 2-(3-tert-butylphenoxy)pyridine-3-sulfonamide?
The InChIKey is KAVITVPIOBCANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-15(2,3)11-6-4-7-12(10-11)20-14-13(21(16,18)19)8-5-9-17-14/h4-10H,1-3H3,(H2,16,18,19).
What are the key properties of 2-(3-tert-butylphenoxy)pyridine-3-sulfonamide?
2-(3-tert-butylphenoxy)pyridine-3-sulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylphenoxy)pyridine-3-sulfonamide is sourced from PubChem (CID 115928484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).