N-(2,2-dimethylpropyl)-N-phenylpyridine-2-sulfonamide

C16H20N2O2S — CID 67698649

IUPACN-(2,2-dimethylpropyl)-N-phenylpyridine-2-sulfonamide
SMILESCC(C)(C)CN(c1ccccc1)S(=O)(=O)c1ccccn1
InChIInChI=1S/C16H20N2O2S/c1-16(2,3)13-18(14-9-5-4-6-10-14)21(19,20)15-11-7-8-12-17-15/h4-12H,13H2,1-3H3
InChIKeyYIDLBOQRBZATHC-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.32
Rot. Bonds4

About N-(2,2-dimethylpropyl)-N-phenylpyridine-2-sulfonamide

N-(2,2-dimethylpropyl)-N-phenylpyridine-2-sulfonamide (PubChem CID 67698649) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-N-phenylpyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-N-phenylpyridine-2-sulfonamide
PubChem CID67698649
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN-(2,2-dimethylpropyl)-N-phenylpyridine-2-sulfonamide
SMILESCC(C)(C)CN(c1ccccc1)S(=O)(=O)c1ccccn1
InChIInChI=1S/C16H20N2O2S/c1-16(2,3)13-18(14-9-5-4-6-10-14)21(19,20)15-11-7-8-12-17-15/h4-12H,13H2,1-3H3
InChIKeyYIDLBOQRBZATHC-UHFFFAOYSA-N
XLogP3.32
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-phenylpyridine-2-sulfonamide
CID 102301711
N-benzyl-N-pyridin-2-ylsulfonylacetamide
CID 102301715
N-methyl-N-(4-methylphenyl)pyridine-2-sulfonamide
CID 71774254
2-(tribromomethylsulfonyl)pyridine
CID 159318212
2,2-dimethyl-3-pyridin-2-ylsulfonylpropanoic acid
CID 116853081
2-(pyridin-2-ylsulfonylmethylsulfonyl)pyridine
CID 139827432
N-ethyl-N-[(2S)-2-hydrazinyl-3,3-dimethylbutyl]pyridine-2-sulfonamide
CID 143141951
N-(3-aminopropyl)-N-propan-2-ylpyridine-2-sulfonamide
CID 112519052
2,2-dimethyl-N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)propanamide
CID 125498117
4-fluoro-N-phenyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 3741145
5-amino-N-benzyl-N-phenylpyridine-2-sulfonamide
CID 71684004
2-(chloromethylsulfonyl)pyridine
CID 54090294

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-N-phenylpyridine-2-sulfonamide?
The IUPAC name of N-(2,2-dimethylpropyl)-N-phenylpyridine-2-sulfonamide (CID 67698649) is N-(2,2-dimethylpropyl)-N-phenylpyridine-2-sulfonamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-N-phenylpyridine-2-sulfonamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-N-phenylpyridine-2-sulfonamide is CC(C)(C)CN(c1ccccc1)S(=O)(=O)c1ccccn1.
What is the InChIKey of N-(2,2-dimethylpropyl)-N-phenylpyridine-2-sulfonamide?
The InChIKey is YIDLBOQRBZATHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-16(2,3)13-18(14-9-5-4-6-10-14)21(19,20)15-11-7-8-12-17-15/h4-12H,13H2,1-3H3.
What are the key properties of N-(2,2-dimethylpropyl)-N-phenylpyridine-2-sulfonamide?
N-(2,2-dimethylpropyl)-N-phenylpyridine-2-sulfonamide has a molecular weight of 304.42 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-N-phenylpyridine-2-sulfonamide is sourced from PubChem (CID 67698649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).