4-tert-butyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide

C17H22N2O2S — CID 139174842

IUPAC4-tert-butyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
SMILESCc1cccc(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C17H22N2O2S/c1-13-6-5-7-15(19-13)12-18-22(20,21)16-10-8-14(9-11-16)17(2,3)4/h5-11,18H,12H2,1-4H3
InChIKeyVAKMENBSXOOKEW-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.17
Rot. Bonds4

About 4-tert-butyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide

4-tert-butyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide (PubChem CID 139174842) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is 4-tert-butyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
PubChem CID139174842
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC Name4-tert-butyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
SMILESCc1cccc(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C17H22N2O2S/c1-13-6-5-7-15(19-13)12-18-22(20,21)16-10-8-14(9-11-16)17(2,3)4/h5-11,18H,12H2,1-4H3
InChIKeyVAKMENBSXOOKEW-UHFFFAOYSA-N
XLogP3.17
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-(6-methylpyridin-2-yl)benzenesulfonamide
CID 815224
1-N-(4-Sulfamoylphenyl-ethyl)-2,4,6-trimethylpyridinium
CID 5289159
4-Methyl-N-pyridin-2-ylmethyl-benzenesulfonamide
CID 731623
Biphenyl-4-sulfonic acid (6-methyl-pyridin-2-yl)-amide
CID 4982676
4-Pyridin-3-ylbenzenesulfonamide
CID 110453853
2,4,5-trimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 802956
4-(2,6-Dimethyl-4-phenylpyridin-1-ium-1-yl)benzenesulfonamide perchlorate
CID 10836786
2,6-Dimethyl-4-phenyl-1-(4-sulfamoyl-phenyl)-pyridinium; perchlorate
CID 10836787
(R)-1-(4-tert-butylphenylsulfonyl)-2-methyl-4-(3-(pyridin-4-yl)propyl)piperazine
CID 44564924
5-Isopropyl-2-methyl-N-pyridin-2-ylmethyl-benzenesulfonamide
CID 747990
2,4-dimethyl-N-(2-pyridinylmethyl)benzenesulfonamide
CID 775793
N-(4,6-dimethyl-2-pyridinyl)-4-(2-methylpropyl)benzenesulfonamide
CID 778279

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide (CID 139174842) is 4-tert-butyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide is Cc1cccc(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)n1.
What is the InChIKey of 4-tert-butyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide?
The InChIKey is VAKMENBSXOOKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-13-6-5-7-15(19-13)12-18-22(20,21)16-10-8-14(9-11-16)17(2,3)4/h5-11,18H,12H2,1-4H3.
What are the key properties of 4-tert-butyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide?
4-tert-butyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide has a molecular weight of 318.44 g/mol, XLogP of 3.17, 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-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide is sourced from PubChem (CID 139174842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).