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

C17H22N2O2S — CID 110724675

IUPAC4-tert-butyl-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCN(Cc1ccccn1)S(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H22N2O2S/c1-17(2,3)14-8-10-16(11-9-14)22(20,21)19(4)13-15-7-5-6-12-18-15/h5-12H,13H2,1-4H3
InChIKeyHKDDICFVCZWHJC-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.20
Rot. Bonds4

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

4-tert-butyl-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide (PubChem CID 110724675) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is 4-tert-butyl-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
PubChem CID110724675
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC Name4-tert-butyl-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCN(Cc1ccccn1)S(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H22N2O2S/c1-17(2,3)14-8-10-16(11-9-14)22(20,21)19(4)13-15-7-5-6-12-18-15/h5-12H,13H2,1-4H3
InChIKeyHKDDICFVCZWHJC-UHFFFAOYSA-N
XLogP3.20
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 121084565
N-methyl-6-(methylamino)-N-(pyridin-2-ylmethyl)pyridine-3-sulfonamide
CID 62148236
4-fluoro-N,3-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 110724645
3-hydroxy-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 81259129
3-amino-4-chloro-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 43564918
4-tert-butyl-N-methyl-N-pyridin-2-ylbenzenesulfonamide
CID 4684252
3-bromo-4-methoxy-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 51889739
3-chloro-4-(hydroxymethyl)-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 107090630
2-hydrazinyl-N-methyl-N-(pyridin-2-ylmethyl)pyridine-4-sulfonamide
CID 61004828
1-chloro-N-methyl-N-(pyridin-2-ylmethyl)methanesulfonamide
CID 63666756
3-amino-4-fluoro-N,5-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 115421252
2-bromo-4-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 47257761

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide (CID 110724675) is 4-tert-butyl-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide is CN(Cc1ccccn1)S(=O)(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The InChIKey is HKDDICFVCZWHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-17(2,3)14-8-10-16(11-9-14)22(20,21)19(4)13-15-7-5-6-12-18-15/h5-12H,13H2,1-4H3.
What are the key properties of 4-tert-butyl-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
4-tert-butyl-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide has a molecular weight of 318.44 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 110724675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).