4-(2-methylbutan-2-yl)-N-pyridin-2-ylbenzenesulfonamide

C16H20N2O2S — CID 3809998

IUPAC4-(2-methylbutan-2-yl)-N-pyridin-2-ylbenzenesulfonamide
SMILESCCC(C)(C)c1ccc(S(=O)(=O)Nc2ccccn2)cc1
InChIInChI=1S/C16H20N2O2S/c1-4-16(2,3)13-8-10-14(11-9-13)21(19,20)18-15-7-5-6-12-17-15/h5-12H,4H2,1-3H3,(H,17,18)
InChIKeyWWPJGGDQNUGRGK-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.57
Rot. Bonds5

About 4-(2-methylbutan-2-yl)-N-pyridin-2-ylbenzenesulfonamide

4-(2-methylbutan-2-yl)-N-pyridin-2-ylbenzenesulfonamide (PubChem CID 3809998) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)-N-pyridin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)-N-pyridin-2-ylbenzenesulfonamide
PubChem CID3809998
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name4-(2-methylbutan-2-yl)-N-pyridin-2-ylbenzenesulfonamide
SMILESCCC(C)(C)c1ccc(S(=O)(=O)Nc2ccccn2)cc1
InChIInChI=1S/C16H20N2O2S/c1-4-16(2,3)13-8-10-14(11-9-13)21(19,20)18-15-7-5-6-12-17-15/h5-12H,4H2,1-3H3,(H,17,18)
InChIKeyWWPJGGDQNUGRGK-UHFFFAOYSA-N
XLogP3.57
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-propyl-N-pyridin-2-ylbenzenesulfonamide
CID 3269642
4-amino-N-pyridin-2-ylbenzenesulfonamide;hydrochloride
CID 68756822
4-tert-butyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683562
4-(2-methylbutan-2-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 166217835
2-(ethylamino)-N-pyridin-2-ylpyrimidine-5-sulfonamide
CID 62149006
4-[(4-ethoxyphenyl)sulfonylamino]-N-pyridin-2-ylbenzenesulfonamide
CID 92674441
N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 725106
4-(benzylamino)-N-pyridin-2-ylbenzenesulfonamide
CID 67330648
N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]-4-(2-methylbutan-2-yl)benzenesulfonamide
CID 25048332
4-amino-N-pyridin-2-ylbenzenesulfonamide;molecular nitrogen
CID 174728998
4-pentyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzenesulfonamide
CID 3868589
4-[[4-(pyridin-2-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid
CID 4918646

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)-N-pyridin-2-ylbenzenesulfonamide?
The IUPAC name of 4-(2-methylbutan-2-yl)-N-pyridin-2-ylbenzenesulfonamide (CID 3809998) is 4-(2-methylbutan-2-yl)-N-pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-(2-methylbutan-2-yl)-N-pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-(2-methylbutan-2-yl)-N-pyridin-2-ylbenzenesulfonamide is CCC(C)(C)c1ccc(S(=O)(=O)Nc2ccccn2)cc1.
What is the InChIKey of 4-(2-methylbutan-2-yl)-N-pyridin-2-ylbenzenesulfonamide?
The InChIKey is WWPJGGDQNUGRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-4-16(2,3)13-8-10-14(11-9-13)21(19,20)18-15-7-5-6-12-17-15/h5-12H,4H2,1-3H3,(H,17,18).
What are the key properties of 4-(2-methylbutan-2-yl)-N-pyridin-2-ylbenzenesulfonamide?
4-(2-methylbutan-2-yl)-N-pyridin-2-ylbenzenesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)-N-pyridin-2-ylbenzenesulfonamide is sourced from PubChem (CID 3809998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).