N-(4-bromopentan-2-yl)-3-fluoropyridine-2-sulfonamide

C10H14BrFN2O2S — CID 103308397

IUPACN-(4-bromopentan-2-yl)-3-fluoropyridine-2-sulfonamide
SMILESCC(Br)CC(C)NS(=O)(=O)c1ncccc1F
InChIInChI=1S/C10H14BrFN2O2S/c1-7(11)6-8(2)14-17(15,16)10-9(12)4-3-5-13-10/h3-5,7-8,14H,6H2,1-2H3
InChIKeyNDNJVAUFHFECAE-UHFFFAOYSA-N
MW325.20 g/mol
LogP2.06
Rot. Bonds5

About N-(4-bromopentan-2-yl)-3-fluoropyridine-2-sulfonamide

N-(4-bromopentan-2-yl)-3-fluoropyridine-2-sulfonamide (PubChem CID 103308397) has the molecular formula C10H14BrFN2O2S and a molecular weight of 325.20 g/mol. Its IUPAC name is N-(4-bromopentan-2-yl)-3-fluoropyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(4-bromopentan-2-yl)-3-fluoropyridine-2-sulfonamide
PubChem CID103308397
Molecular FormulaC10H14BrFN2O2S
Molecular Weight325.20 g/mol
Exact Mass323.99
IUPAC NameN-(4-bromopentan-2-yl)-3-fluoropyridine-2-sulfonamide
SMILESCC(Br)CC(C)NS(=O)(=O)c1ncccc1F
InChIInChI=1S/C10H14BrFN2O2S/c1-7(11)6-8(2)14-17(15,16)10-9(12)4-3-5-13-10/h3-5,7-8,14H,6H2,1-2H3
InChIKeyNDNJVAUFHFECAE-UHFFFAOYSA-N
XLogP2.06
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-N-(4-hydroxybutan-2-yl)pyridine-2-sulfonamide
CID 103300372
N-(1-cyclopropylpropan-2-yl)-3-fluoropyridine-2-sulfonamide
CID 103300114
N-[4-(dimethylamino)butan-2-yl]-3-fluoropyridine-2-sulfonamide
CID 103299907
3-fluoro-N-octan-2-ylpyridine-2-sulfonamide
CID 103299597
5-[(3-fluoro-2-pyridinyl)sulfonylamino]hexanoic acid
CID 103298911
N-but-3-en-2-yl-3-fluoropyridine-2-sulfonamide
CID 103300448
N-(2-chloropropyl)-3-fluoropyridine-2-sulfonamide
CID 103308189
N-(2-bromobutyl)-3-fluoropyridine-2-sulfonamide
CID 103308428
N-(1-bromo-2-methylpropan-2-yl)-3-fluoropyridine-2-sulfonamide
CID 103308364
3-amino-N-(4-methylpentan-2-yl)pyridine-2-sulfonamide
CID 103304535
N-(4-bromopentan-2-yl)-3,4-difluorobenzenesulfonamide
CID 113376804
3-fluoro-N-(3-hydroxy-2-methylpropyl)pyridine-2-sulfonamide
CID 103300164

Frequently Asked Questions

What is the IUPAC name of N-(4-bromopentan-2-yl)-3-fluoropyridine-2-sulfonamide?
The IUPAC name of N-(4-bromopentan-2-yl)-3-fluoropyridine-2-sulfonamide (CID 103308397) is N-(4-bromopentan-2-yl)-3-fluoropyridine-2-sulfonamide.
What is the SMILES notation for N-(4-bromopentan-2-yl)-3-fluoropyridine-2-sulfonamide?
The canonical SMILES for N-(4-bromopentan-2-yl)-3-fluoropyridine-2-sulfonamide is CC(Br)CC(C)NS(=O)(=O)c1ncccc1F.
What is the InChIKey of N-(4-bromopentan-2-yl)-3-fluoropyridine-2-sulfonamide?
The InChIKey is NDNJVAUFHFECAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrFN2O2S/c1-7(11)6-8(2)14-17(15,16)10-9(12)4-3-5-13-10/h3-5,7-8,14H,6H2,1-2H3.
What are the key properties of N-(4-bromopentan-2-yl)-3-fluoropyridine-2-sulfonamide?
N-(4-bromopentan-2-yl)-3-fluoropyridine-2-sulfonamide has a molecular weight of 325.20 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromopentan-2-yl)-3-fluoropyridine-2-sulfonamide is sourced from PubChem (CID 103308397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).