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

C16H20N2O2S — CID 849941

IUPAC4-tert-butyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCc2ccccn2)cc1
InChIInChI=1S/C16H20N2O2S/c1-16(2,3)13-7-9-15(10-8-13)21(19,20)18-12-14-6-4-5-11-17-14/h4-11,18H,12H2,1-3H3
InChIKeyFSBFQFMQMMIEOQ-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.86
Rot. Bonds4

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

4-tert-butyl-N-(pyridin-2-ylmethyl)benzenesulfonamide (PubChem CID 849941) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-tert-butyl-N-(pyridin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
PubChem CID849941
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name4-tert-butyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCc2ccccn2)cc1
InChIInChI=1S/C16H20N2O2S/c1-16(2,3)13-7-9-15(10-8-13)21(19,20)18-12-14-6-4-5-11-17-14/h4-11,18H,12H2,1-3H3
InChIKeyFSBFQFMQMMIEOQ-UHFFFAOYSA-N
XLogP2.86
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-tert-butyl-N-(pyridin-2-ylmethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-(pyridin-2-ylmethyl)benzenesulfonamide (CID 849941) is 4-tert-butyl-N-(pyridin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-(pyridin-2-ylmethyl)benzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)NCc2ccccn2)cc1.
What is the InChIKey of 4-tert-butyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The InChIKey is FSBFQFMQMMIEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-16(2,3)13-7-9-15(10-8-13)21(19,20)18-12-14-6-4-5-11-17-14/h4-11,18H,12H2,1-3H3.
What are the key properties of 4-tert-butyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
4-tert-butyl-N-(pyridin-2-ylmethyl)benzenesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(pyridin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 849941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).