N-(2-aminopentyl)-2-chloro-5-fluorobenzenesulfonamide

C11H16ClFN2O2S — CID 86780772

IUPACN-(2-aminopentyl)-2-chloro-5-fluorobenzenesulfonamide
SMILESCCCC(N)CNS(=O)(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C11H16ClFN2O2S/c1-2-3-9(14)7-15-18(16,17)11-6-8(13)4-5-10(11)12/h4-6,9,15H,2-3,7,14H2,1H3
InChIKeyLZXDNXIQJHKPAB-UHFFFAOYSA-N
MW294.78 g/mol
LogP1.88
Rot. Bonds6

About N-(2-aminopentyl)-2-chloro-5-fluorobenzenesulfonamide

N-(2-aminopentyl)-2-chloro-5-fluorobenzenesulfonamide (PubChem CID 86780772) has the molecular formula C11H16ClFN2O2S and a molecular weight of 294.78 g/mol. Its IUPAC name is N-(2-aminopentyl)-2-chloro-5-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminopentyl)-2-chloro-5-fluorobenzenesulfonamide
PubChem CID86780772
Molecular FormulaC11H16ClFN2O2S
Molecular Weight294.78 g/mol
Exact Mass294.06
IUPAC NameN-(2-aminopentyl)-2-chloro-5-fluorobenzenesulfonamide
SMILESCCCC(N)CNS(=O)(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C11H16ClFN2O2S/c1-2-3-9(14)7-15-18(16,17)11-6-8(13)4-5-10(11)12/h4-6,9,15H,2-3,7,14H2,1H3
InChIKeyLZXDNXIQJHKPAB-UHFFFAOYSA-N
XLogP1.88
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(2-ethyl-4-hydroxybutyl)-5-fluorobenzenesulfonamide
CID 115701461
2-chloro-N-(4-chloro-2-ethylbutyl)-5-fluorobenzenesulfonamide
CID 105400660
N-(2-amino-2-phenylethyl)-2-chloro-5-fluorobenzenesulfonamide
CID 75431000
2-chloro-N-(3-ethyl-2-hydroxypentyl)-5-fluorobenzenesulfonamide
CID 103835211
2-chloro-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide
CID 102697607
2-[(2-chloro-5-fluorophenyl)sulfonylamino]pentanoic acid
CID 104739176
N-(2-aminopentyl)-2,5-dimethylbenzenesulfonamide
CID 115752625
N-(2-aminobutyl)-2-chloro-5-methylsulfonylbenzenesulfonamide
CID 63730770
2-chloro-5-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 115752308
N-(2-aminoethyl)-2-chloro-5-fluorobenzenesulfonamide;hydrochloride
CID 86780565
N-(2-bromo-2-cyclopropylethyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105400692
1-(2,5-difluorophenyl)sulfonylpentan-2-amine
CID 64647514

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopentyl)-2-chloro-5-fluorobenzenesulfonamide?
The IUPAC name of N-(2-aminopentyl)-2-chloro-5-fluorobenzenesulfonamide (CID 86780772) is N-(2-aminopentyl)-2-chloro-5-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2-aminopentyl)-2-chloro-5-fluorobenzenesulfonamide?
The canonical SMILES for N-(2-aminopentyl)-2-chloro-5-fluorobenzenesulfonamide is CCCC(N)CNS(=O)(=O)c1cc(F)ccc1Cl.
What is the InChIKey of N-(2-aminopentyl)-2-chloro-5-fluorobenzenesulfonamide?
The InChIKey is LZXDNXIQJHKPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClFN2O2S/c1-2-3-9(14)7-15-18(16,17)11-6-8(13)4-5-10(11)12/h4-6,9,15H,2-3,7,14H2,1H3.
What are the key properties of N-(2-aminopentyl)-2-chloro-5-fluorobenzenesulfonamide?
N-(2-aminopentyl)-2-chloro-5-fluorobenzenesulfonamide has a molecular weight of 294.78 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopentyl)-2-chloro-5-fluorobenzenesulfonamide is sourced from PubChem (CID 86780772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).