4-tert-butyl-N-methyl-N-pyridin-2-ylbenzenesulfonamide

C16H20N2O2S — CID 4684252

IUPAC4-tert-butyl-N-methyl-N-pyridin-2-ylbenzenesulfonamide
SMILESCN(c1ccccn1)S(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H20N2O2S/c1-16(2,3)13-8-10-14(11-9-13)21(19,20)18(4)15-7-5-6-12-17-15/h5-12H,1-4H3
InChIKeyLPFQNLLFEPXXGN-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.20
Rot. Bonds3

About 4-tert-butyl-N-methyl-N-pyridin-2-ylbenzenesulfonamide

4-tert-butyl-N-methyl-N-pyridin-2-ylbenzenesulfonamide (PubChem CID 4684252) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-tert-butyl-N-methyl-N-pyridin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-methyl-N-pyridin-2-ylbenzenesulfonamide
PubChem CID4684252
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name4-tert-butyl-N-methyl-N-pyridin-2-ylbenzenesulfonamide
SMILESCN(c1ccccn1)S(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H20N2O2S/c1-16(2,3)13-8-10-14(11-9-13)21(19,20)18(4)15-7-5-6-12-17-15/h5-12H,1-4H3
InChIKeyLPFQNLLFEPXXGN-UHFFFAOYSA-N
XLogP3.20
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-methyl-N-pyridin-2-ylbenzenesulfonamide
CID 47137196
4-tert-butyl-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 110724675
3-amino-4-bromo-N-methyl-N-pyridin-2-ylbenzenesulfonamide
CID 115328693
2-amino-N-methyl-N-pyridin-2-ylpyridine-3-sulfonamide
CID 62149256
4-tert-butyl-N-methyl-N-pyridin-3-ylbenzenesulfonamide
CID 110752641
4-methoxy-N,3-dimethyl-N-pyridin-2-ylbenzenesulfonamide
CID 56816994
N-(4-tert-butylphenyl)-N-methylpyridin-2-amine
CID 91397569
2-[methyl(sulfamoyl)amino]pyridine
CID 112686069
4-(aminomethyl)-N,3-dimethyl-N-pyridin-2-ylbenzenesulfonamide
CID 106919095
2,6-difluoro-N-methyl-N-pyridin-2-ylbenzenesulfonamide
CID 4994622
N,N-bis(4-tert-butylphenyl)pyridin-2-amine
CID 170994719
6-amino-5-chloro-N-methyl-N-pyridin-2-ylpyridine-3-sulfonamide
CID 64606792

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-methyl-N-pyridin-2-ylbenzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-methyl-N-pyridin-2-ylbenzenesulfonamide (CID 4684252) is 4-tert-butyl-N-methyl-N-pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-methyl-N-pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-methyl-N-pyridin-2-ylbenzenesulfonamide is CN(c1ccccn1)S(=O)(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-methyl-N-pyridin-2-ylbenzenesulfonamide?
The InChIKey is LPFQNLLFEPXXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-16(2,3)13-8-10-14(11-9-13)21(19,20)18(4)15-7-5-6-12-17-15/h5-12H,1-4H3.
What are the key properties of 4-tert-butyl-N-methyl-N-pyridin-2-ylbenzenesulfonamide?
4-tert-butyl-N-methyl-N-pyridin-2-ylbenzenesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 3.20, 3 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-ylbenzenesulfonamide is sourced from PubChem (CID 4684252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).