N-[2-(2-tert-butylphenoxy)-3-pyridinyl]naphthalene-1-sulfonamide

C25H24N2O3S — CID 67026821

IUPACN-[2-(2-tert-butylphenoxy)-3-pyridinyl]naphthalene-1-sulfonamide
SMILESCC(C)(C)c1ccccc1Oc1ncccc1NS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C25H24N2O3S/c1-25(2,3)20-13-6-7-15-22(20)30-24-21(14-9-17-26-24)27-31(28,29)23-16-8-11-18-10-4-5-12-19(18)23/h4-17,27H,1-3H3
InChIKeyUFWBOJMTXAVUQX-UHFFFAOYSA-N
MW432.55 g/mol
LogP6.13
Rot. Bonds5

About N-[2-(2-tert-butylphenoxy)-3-pyridinyl]naphthalene-1-sulfonamide

N-[2-(2-tert-butylphenoxy)-3-pyridinyl]naphthalene-1-sulfonamide (PubChem CID 67026821) has the molecular formula C25H24N2O3S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-[2-(2-tert-butylphenoxy)-3-pyridinyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-tert-butylphenoxy)-3-pyridinyl]naphthalene-1-sulfonamide
PubChem CID67026821
Molecular FormulaC25H24N2O3S
Molecular Weight432.55 g/mol
Exact Mass432.15
IUPAC NameN-[2-(2-tert-butylphenoxy)-3-pyridinyl]naphthalene-1-sulfonamide
SMILESCC(C)(C)c1ccccc1Oc1ncccc1NS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C25H24N2O3S/c1-25(2,3)20-13-6-7-15-22(20)30-24-21(14-9-17-26-24)27-31(28,29)23-16-8-11-18-10-4-5-12-19(18)23/h4-17,27H,1-3H3
InChIKeyUFWBOJMTXAVUQX-UHFFFAOYSA-N
XLogP6.13
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.55
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 67026953
N-pyrimidin-2-ylnaphthalene-1-sulfonamide
CID 75483860
N-[3-(trifluoromethyl)-2-pyridinyl]naphthalene-1-sulfonamide
CID 167863794
N-(6-bromoquinolin-8-yl)naphthalene-1-sulfonamide
CID 16759550
N-(2,3-dimethoxyphenyl)quinoline-8-sulfonamide
CID 3866922
[2-(2-tert-butylphenoxy)-3-pyridinyl]methanol
CID 61255865
5-bromo-N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 59128919
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-ethyl-1,3-thiazol-2-amine
CID 86250340
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 68646027
N-(2-ethoxypyrimidin-5-yl)naphthalene-1-sulfonamide
CID 122302123
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-methyl-1,3-thiazol-2-amine
CID 59128807
4-tert-butyl-N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-1,3-thiazol-2-amine
CID 170985858

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-tert-butylphenoxy)-3-pyridinyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[2-(2-tert-butylphenoxy)-3-pyridinyl]naphthalene-1-sulfonamide (CID 67026821) is N-[2-(2-tert-butylphenoxy)-3-pyridinyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[2-(2-tert-butylphenoxy)-3-pyridinyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[2-(2-tert-butylphenoxy)-3-pyridinyl]naphthalene-1-sulfonamide is CC(C)(C)c1ccccc1Oc1ncccc1NS(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-[2-(2-tert-butylphenoxy)-3-pyridinyl]naphthalene-1-sulfonamide?
The InChIKey is UFWBOJMTXAVUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3S/c1-25(2,3)20-13-6-7-15-22(20)30-24-21(14-9-17-26-24)27-31(28,29)23-16-8-11-18-10-4-5-12-19(18)23/h4-17,27H,1-3H3.
What are the key properties of N-[2-(2-tert-butylphenoxy)-3-pyridinyl]naphthalene-1-sulfonamide?
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]naphthalene-1-sulfonamide has a molecular weight of 432.55 g/mol, XLogP of 6.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-tert-butylphenoxy)-3-pyridinyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 67026821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).