4-tert-butyl-N-methyl-N-pyridin-3-ylbenzenesulfonamide

C16H20N2O2S — CID 110752641

IUPAC4-tert-butyl-N-methyl-N-pyridin-3-ylbenzenesulfonamide
SMILESCN(c1cccnc1)S(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H20N2O2S/c1-16(2,3)13-7-9-15(10-8-13)21(19,20)18(4)14-6-5-11-17-12-14/h5-12H,1-4H3
InChIKeyQITYAFYJUWCOAS-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.20
Rot. Bonds3

About 4-tert-butyl-N-methyl-N-pyridin-3-ylbenzenesulfonamide

4-tert-butyl-N-methyl-N-pyridin-3-ylbenzenesulfonamide (PubChem CID 110752641) 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-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-methyl-N-pyridin-3-ylbenzenesulfonamide
PubChem CID110752641
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name4-tert-butyl-N-methyl-N-pyridin-3-ylbenzenesulfonamide
SMILESCN(c1cccnc1)S(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H20N2O2S/c1-16(2,3)13-7-9-15(10-8-13)21(19,20)18(4)14-6-5-11-17-12-14/h5-12H,1-4H3
InChIKeyQITYAFYJUWCOAS-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-fluoro-N,3-dimethyl-N-pyridin-3-ylbenzenesulfonamide
CID 110752600
4-tert-butyl-N-methyl-N-pyridin-2-ylbenzenesulfonamide
CID 4684252
4-methoxy-N,3-dimethyl-N-pyridin-3-ylbenzenesulfonamide
CID 110752603
N-(6-amino-3-pyridinyl)-N-methylpyridine-3-sulfonamide
CID 115274544
4-[methyl(phenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
CID 4801676
3-fluoro-4-[methyl(pyridin-3-yl)sulfamoyl]benzoic acid
CID 79177916
5-amino-2-bromo-N-methyl-N-pyridin-3-ylbenzenesulfonamide
CID 65206750
4-[methyl-(4-methylphenyl)sulfonylamino]-N-pyridin-3-ylbenzamide
CID 1210805
N-methyl-N-[4-(pyridine-3-carbonyl)phenyl]benzenesulfonamide
CID 10066599
pyridin-3-ylmethyl 4-[methyl(phenyl)sulfamoyl]benzoate
CID 18083751
4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-pyridin-3-ylbenzamide
CID 1242126
3-[methyl(pyridin-3-ylsulfonyl)amino]benzenecarbothioamide
CID 62969653

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-methyl-N-pyridin-3-ylbenzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-methyl-N-pyridin-3-ylbenzenesulfonamide (CID 110752641) is 4-tert-butyl-N-methyl-N-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-methyl-N-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-methyl-N-pyridin-3-ylbenzenesulfonamide is CN(c1cccnc1)S(=O)(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-methyl-N-pyridin-3-ylbenzenesulfonamide?
The InChIKey is QITYAFYJUWCOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-16(2,3)13-7-9-15(10-8-13)21(19,20)18(4)14-6-5-11-17-12-14/h5-12H,1-4H3.
What are the key properties of 4-tert-butyl-N-methyl-N-pyridin-3-ylbenzenesulfonamide?
4-tert-butyl-N-methyl-N-pyridin-3-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-3-ylbenzenesulfonamide is sourced from PubChem (CID 110752641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).