4-tert-butyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide

C17H22N2O2S — CID 688004

IUPAC4-tert-butyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCCc2ccncc2)cc1
InChIInChI=1S/C17H22N2O2S/c1-17(2,3)15-4-6-16(7-5-15)22(20,21)19-13-10-14-8-11-18-12-9-14/h4-9,11-12,19H,10,13H2,1-3H3
InChIKeyNGBKQJUYUFFZGM-UHFFFAOYSA-N
MW318.44 g/mol
LogP2.90
Rot. Bonds5

About 4-tert-butyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide

4-tert-butyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide (PubChem CID 688004) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
PubChem CID688004
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC Name4-tert-butyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCCc2ccncc2)cc1
InChIInChI=1S/C17H22N2O2S/c1-17(2,3)15-4-6-16(7-5-15)22(20,21)19-13-10-14-8-11-18-12-9-14/h4-9,11-12,19H,10,13H2,1-3H3
InChIKeyNGBKQJUYUFFZGM-UHFFFAOYSA-N
XLogP2.90
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide (CID 688004) is 4-tert-butyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)NCCc2ccncc2)cc1.
What is the InChIKey of 4-tert-butyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The InChIKey is NGBKQJUYUFFZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-17(2,3)15-4-6-16(7-5-15)22(20,21)19-13-10-14-8-11-18-12-9-14/h4-9,11-12,19H,10,13H2,1-3H3.
What are the key properties of 4-tert-butyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
4-tert-butyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide has a molecular weight of 318.44 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 688004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).