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

N-ethyl-4-[(6-methyl-2-pyridinyl)methylamino]benzenesulfonamide
CID 62308229
3-(aminomethyl)-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 106055024
2-cyano-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 62309272
4-(aminomethyl)-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 106996904
5-bromo-N-[(6-methyl-2-pyridinyl)methyl]thiophene-2-sulfonamide
CID 61059094
2-bromo-4-fluoro-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 47305613
4-tert-butyl-N-ethylbenzenesulfonamide
CID 846956
2-hydroxy-N-[(6-methyl-2-pyridinyl)methyl]ethanesulfonamide
CID 79578690
5-amino-2-fluoro-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 80628498
2-cyano-N-[(6-methyl-2-pyridinyl)methyl]pyridine-3-sulfonamide
CID 106545620
3-[(6-methyl-2-pyridinyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 61059093
N-(1H-benzimidazol-2-ylmethyl)-4-tert-butylbenzenesulfonamide
CID 110711606

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).