6-(tert-butylamino)-N-ethyl-N-phenylpyridine-3-sulfonamide

C17H23N3O2S — CID 5268345

IUPAC6-(tert-butylamino)-N-ethyl-N-phenylpyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(NC(C)(C)C)nc1
InChIInChI=1S/C17H23N3O2S/c1-5-20(14-9-7-6-8-10-14)23(21,22)15-11-12-16(18-13-15)19-17(2,3)4/h6-13H,5H2,1-4H3,(H,18,19)
InChIKeyIFQBLXWFGUZXBI-UHFFFAOYSA-N
MW333.46 g/mol
LogP3.51
Rot. Bonds5

About 6-(tert-butylamino)-N-ethyl-N-phenylpyridine-3-sulfonamide

6-(tert-butylamino)-N-ethyl-N-phenylpyridine-3-sulfonamide (PubChem CID 5268345) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 6-(tert-butylamino)-N-ethyl-N-phenylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(tert-butylamino)-N-ethyl-N-phenylpyridine-3-sulfonamide
PubChem CID5268345
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name6-(tert-butylamino)-N-ethyl-N-phenylpyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(NC(C)(C)C)nc1
InChIInChI=1S/C17H23N3O2S/c1-5-20(14-9-7-6-8-10-14)23(21,22)15-11-12-16(18-13-15)19-17(2,3)4/h6-13H,5H2,1-4H3,(H,18,19)
InChIKeyIFQBLXWFGUZXBI-UHFFFAOYSA-N
XLogP3.51
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-6-(2-methoxyethylamino)-N-phenylpyridine-3-sulfonamide
CID 9196231
N-ethyl-N-phenyl-6-(pyridin-4-ylamino)pyridine-3-sulfonamide
CID 5268351
6-(cyclohexylamino)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 5268373
6-(4-bromoanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 5268427
N-ethyl-N-phenyl-6-(thiophen-2-ylmethylamino)pyridine-3-sulfonamide
CID 9111880
2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]pentanoic acid
CID 122060688
N-ethyl-6-[2-(4-methoxyphenyl)ethylamino]-N-phenylpyridine-3-sulfonamide
CID 9281334
6-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 2998477
6-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 2161417
N-ethyl-6-methoxy-N-phenylpyridine-3-sulfonamide
CID 5268434
6-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 9107729
6-[(3-ethoxyphenyl)methylamino]-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 55828070

Frequently Asked Questions

What is the IUPAC name of 6-(tert-butylamino)-N-ethyl-N-phenylpyridine-3-sulfonamide?
The IUPAC name of 6-(tert-butylamino)-N-ethyl-N-phenylpyridine-3-sulfonamide (CID 5268345) is 6-(tert-butylamino)-N-ethyl-N-phenylpyridine-3-sulfonamide.
What is the SMILES notation for 6-(tert-butylamino)-N-ethyl-N-phenylpyridine-3-sulfonamide?
The canonical SMILES for 6-(tert-butylamino)-N-ethyl-N-phenylpyridine-3-sulfonamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(C)(C)C)nc1.
What is the InChIKey of 6-(tert-butylamino)-N-ethyl-N-phenylpyridine-3-sulfonamide?
The InChIKey is IFQBLXWFGUZXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-5-20(14-9-7-6-8-10-14)23(21,22)15-11-12-16(18-13-15)19-17(2,3)4/h6-13H,5H2,1-4H3,(H,18,19).
What are the key properties of 6-(tert-butylamino)-N-ethyl-N-phenylpyridine-3-sulfonamide?
6-(tert-butylamino)-N-ethyl-N-phenylpyridine-3-sulfonamide has a molecular weight of 333.46 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(tert-butylamino)-N-ethyl-N-phenylpyridine-3-sulfonamide is sourced from PubChem (CID 5268345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).