4-tert-butyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide

C16H20N2O2S — CID 617324

IUPAC4-tert-butyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C16H20N2O2S/c1-12-9-10-17-15(11-12)18-21(19,20)14-7-5-13(6-8-14)16(2,3)4/h5-11H,1-4H3,(H,17,18)
InChIKeyXVFHFTCCXKMOJF-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.49
Rot. Bonds3

About 4-tert-butyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide

4-tert-butyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide (PubChem CID 617324) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-tert-butyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide
PubChem CID617324
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name4-tert-butyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C16H20N2O2S/c1-12-9-10-17-15(11-12)18-21(19,20)14-7-5-13(6-8-14)16(2,3)4/h5-11H,1-4H3,(H,17,18)
InChIKeyXVFHFTCCXKMOJF-UHFFFAOYSA-N
XLogP3.49
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.49
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-(4-methyl-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide (CID 617324) is 4-tert-butyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide is Cc1ccnc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 4-tert-butyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide?
The InChIKey is XVFHFTCCXKMOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-12-9-10-17-15(11-12)18-21(19,20)14-7-5-13(6-8-14)16(2,3)4/h5-11H,1-4H3,(H,17,18).
What are the key properties of 4-tert-butyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide?
4-tert-butyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 617324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).