N-(6-fluoro-2-pyridinyl)-3,3-dimethylbutane-1-sulfonamide

C11H17FN2O2S — CID 103522016

IUPACN-(6-fluoro-2-pyridinyl)-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)Nc1cccc(F)n1
InChIInChI=1S/C11H17FN2O2S/c1-11(2,3)7-8-17(15,16)14-10-6-4-5-9(12)13-10/h4-6H,7-8H2,1-3H3,(H,13,14)
InChIKeyKZFOFMXCAMJEOV-UHFFFAOYSA-N
MW260.33 g/mol
LogP2.40
Rot. Bonds4

About N-(6-fluoro-2-pyridinyl)-3,3-dimethylbutane-1-sulfonamide

N-(6-fluoro-2-pyridinyl)-3,3-dimethylbutane-1-sulfonamide (PubChem CID 103522016) has the molecular formula C11H17FN2O2S and a molecular weight of 260.33 g/mol. Its IUPAC name is N-(6-fluoro-2-pyridinyl)-3,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(6-fluoro-2-pyridinyl)-3,3-dimethylbutane-1-sulfonamide
PubChem CID103522016
Molecular FormulaC11H17FN2O2S
Molecular Weight260.33 g/mol
Exact Mass260.10
IUPAC NameN-(6-fluoro-2-pyridinyl)-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)Nc1cccc(F)n1
InChIInChI=1S/C11H17FN2O2S/c1-11(2,3)7-8-17(15,16)14-10-6-4-5-9(12)13-10/h4-6H,7-8H2,1-3H3,(H,13,14)
InChIKeyKZFOFMXCAMJEOV-UHFFFAOYSA-N
XLogP2.40
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(6-Aminopyridin-2-Yl)-4-Fluorobenzenesulfonamide
CID 56965955
N-(6-methylpyridin-2-yl)-1-phenylmethanesulfonamide
CID 798778
N-(5-methylpyridin-2-yl)butane-1-sulfonamide
CID 2094153
4-fluoro-N-(6-methylpyridin-2-yl)benzenesulfonamide
CID 798925
6-Amino-2-phenylsulfonylimino-1,2-dihydropyridine
CID 85846211
N-[6-(trifluoromethyl)-2-pyridinyl]methanesulfonamide
CID 86794022
N-(cyclobutylmethyl)-2-[(3-fluoro-2-pyridinyl)amino]ethanesulfonamide
CID 86805509
N-(5-trifluoromethyl-2-pyridyl)ethanesulfonamide
CID 10610926
2,4-difluoro-N-(6-methyl-2-pyridinyl)benzenesulfonamide
CID 19683145
N-[5-(Trifluoromethyl)-6-chloro-2-pyridyl]ethanesulfonamide
CID 53248545
N-(6-fluoro-4-propan-2-yl-2-pyridinyl)methanesulfonamide
CID 70918127
N-(6-fluoro-4-methyl-2-pyridinyl)methanesulfonamide
CID 70918144

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-2-pyridinyl)-3,3-dimethylbutane-1-sulfonamide?
The IUPAC name of N-(6-fluoro-2-pyridinyl)-3,3-dimethylbutane-1-sulfonamide (CID 103522016) is N-(6-fluoro-2-pyridinyl)-3,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for N-(6-fluoro-2-pyridinyl)-3,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for N-(6-fluoro-2-pyridinyl)-3,3-dimethylbutane-1-sulfonamide is CC(C)(C)CCS(=O)(=O)Nc1cccc(F)n1.
What is the InChIKey of N-(6-fluoro-2-pyridinyl)-3,3-dimethylbutane-1-sulfonamide?
The InChIKey is KZFOFMXCAMJEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O2S/c1-11(2,3)7-8-17(15,16)14-10-6-4-5-9(12)13-10/h4-6H,7-8H2,1-3H3,(H,13,14).
What are the key properties of N-(6-fluoro-2-pyridinyl)-3,3-dimethylbutane-1-sulfonamide?
N-(6-fluoro-2-pyridinyl)-3,3-dimethylbutane-1-sulfonamide has a molecular weight of 260.33 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-2-pyridinyl)-3,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 103522016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).