N-(3-bromopropyl)-N-cyclobutyl-5-fluoropyridine-3-sulfonamide

C12H16BrFN2O2S — CID 102873353

IUPACN-(3-bromopropyl)-N-cyclobutyl-5-fluoropyridine-3-sulfonamide
SMILESO=S(=O)(c1cncc(F)c1)N(CCCBr)C1CCC1
InChIInChI=1S/C12H16BrFN2O2S/c13-5-2-6-16(11-3-1-4-11)19(17,18)12-7-10(14)8-15-9-12/h7-9,11H,1-6H2
InChIKeyHSDAUJHFEJJKND-UHFFFAOYSA-N
MW351.24 g/mol
LogP2.55
Rot. Bonds6

About N-(3-bromopropyl)-N-cyclobutyl-5-fluoropyridine-3-sulfonamide

N-(3-bromopropyl)-N-cyclobutyl-5-fluoropyridine-3-sulfonamide (PubChem CID 102873353) has the molecular formula C12H16BrFN2O2S and a molecular weight of 351.24 g/mol. Its IUPAC name is N-(3-bromopropyl)-N-cyclobutyl-5-fluoropyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-N-cyclobutyl-5-fluoropyridine-3-sulfonamide
PubChem CID102873353
Molecular FormulaC12H16BrFN2O2S
Molecular Weight351.24 g/mol
Exact Mass350.01
IUPAC NameN-(3-bromopropyl)-N-cyclobutyl-5-fluoropyridine-3-sulfonamide
SMILESO=S(=O)(c1cncc(F)c1)N(CCCBr)C1CCC1
InChIInChI=1S/C12H16BrFN2O2S/c13-5-2-6-16(11-3-1-4-11)19(17,18)12-7-10(14)8-15-9-12/h7-9,11H,1-6H2
InChIKeyHSDAUJHFEJJKND-UHFFFAOYSA-N
XLogP2.55
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Bromopyridine-3-sulfonamide
CID 12684258
5-Bromo-N-tert-butylpyridine-3-sulfonamide
CID 61794951
5-Fluoropyridine-3-sulfonyl chloride
CID 45792531
5-Fluoropyridine-3-sulfonamide
CID 61785302
6-Fluoropyridine-3-sulfonamide
CID 114953236
2-Fluoropyridine-3-sulfonamide
CID 129491008
N,N-Dimethylpyridine-3-sulfonamide
CID 12711515
4-Fluoropyridine-3-sulfonamide
CID 9855613
2-Bromo-5-fluoropyridine-3-sulfonyl chloride
CID 129961435
5-Bromo-2-fluoropyridine-3-sulfonyl chloride
CID 129961443
5-Bromo-2-fluoropyridine-3-sulfonyl fluoride
CID 165841573
N,N-di(propan-2-yl)pyridine-3-sulfonamide
CID 154343503

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-N-cyclobutyl-5-fluoropyridine-3-sulfonamide?
The IUPAC name of N-(3-bromopropyl)-N-cyclobutyl-5-fluoropyridine-3-sulfonamide (CID 102873353) is N-(3-bromopropyl)-N-cyclobutyl-5-fluoropyridine-3-sulfonamide.
What is the SMILES notation for N-(3-bromopropyl)-N-cyclobutyl-5-fluoropyridine-3-sulfonamide?
The canonical SMILES for N-(3-bromopropyl)-N-cyclobutyl-5-fluoropyridine-3-sulfonamide is O=S(=O)(c1cncc(F)c1)N(CCCBr)C1CCC1.
What is the InChIKey of N-(3-bromopropyl)-N-cyclobutyl-5-fluoropyridine-3-sulfonamide?
The InChIKey is HSDAUJHFEJJKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O2S/c13-5-2-6-16(11-3-1-4-11)19(17,18)12-7-10(14)8-15-9-12/h7-9,11H,1-6H2.
What are the key properties of N-(3-bromopropyl)-N-cyclobutyl-5-fluoropyridine-3-sulfonamide?
N-(3-bromopropyl)-N-cyclobutyl-5-fluoropyridine-3-sulfonamide has a molecular weight of 351.24 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-N-cyclobutyl-5-fluoropyridine-3-sulfonamide is sourced from PubChem (CID 102873353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).