N-(6-aminohexyl)-2,5-difluorobenzenesulfonamide

C12H18F2N2O2S — CID 107844397

IUPACN-(6-aminohexyl)-2,5-difluorobenzenesulfonamide
SMILESNCCCCCCNS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C12H18F2N2O2S/c13-10-5-6-11(14)12(9-10)19(17,18)16-8-4-2-1-3-7-15/h5-6,9,16H,1-4,7-8,15H2
InChIKeyVNCSZPKYNYMKHH-UHFFFAOYSA-N
MW292.35 g/mol
LogP1.76
Rot. Bonds8

About N-(6-aminohexyl)-2,5-difluorobenzenesulfonamide

N-(6-aminohexyl)-2,5-difluorobenzenesulfonamide (PubChem CID 107844397) has the molecular formula C12H18F2N2O2S and a molecular weight of 292.35 g/mol. Its IUPAC name is N-(6-aminohexyl)-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(6-aminohexyl)-2,5-difluorobenzenesulfonamide
PubChem CID107844397
Molecular FormulaC12H18F2N2O2S
Molecular Weight292.35 g/mol
Exact Mass292.11
IUPAC NameN-(6-aminohexyl)-2,5-difluorobenzenesulfonamide
SMILESNCCCCCCNS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C12H18F2N2O2S/c13-10-5-6-11(14)12(9-10)19(17,18)16-8-4-2-1-3-7-15/h5-6,9,16H,1-4,7-8,15H2
InChIKeyVNCSZPKYNYMKHH-UHFFFAOYSA-N
XLogP1.76
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-difluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 19680959
2,5-difluoro-N-pent-4-ynylbenzenesulfonamide
CID 103698123
2,5-difluoro-N-(3-phenylpropyl)benzenesulfonamide
CID 19680937
N-(4-bromopentyl)-2,5-difluorobenzenesulfonamide
CID 106135621
N-[3-(2-chloroethoxy)propyl]-2,5-difluorobenzenesulfonamide
CID 106305837
N-(3-aminopropyl)-2-fluoro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 91659841
N-(3-chlorobutyl)-2,5-difluorobenzenesulfonamide
CID 65032947
4-(2,5-difluorophenyl)sulfonylbutan-1-amine
CID 64697007
N-(4-aminobutyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride
CID 120583305
N-[2-[di(propan-2-yl)amino]ethyl]-2,5-difluorobenzenesulfonamide
CID 78808057
2,5-difluoro-N-pent-3-ynylbenzenesulfonamide
CID 115977957
5-(aminomethyl)-2-fluoro-N-(5-methylsulfanylpentyl)benzenesulfonamide
CID 106093679

Frequently Asked Questions

What is the IUPAC name of N-(6-aminohexyl)-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-(6-aminohexyl)-2,5-difluorobenzenesulfonamide (CID 107844397) is N-(6-aminohexyl)-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-(6-aminohexyl)-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-(6-aminohexyl)-2,5-difluorobenzenesulfonamide is NCCCCCCNS(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of N-(6-aminohexyl)-2,5-difluorobenzenesulfonamide?
The InChIKey is VNCSZPKYNYMKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O2S/c13-10-5-6-11(14)12(9-10)19(17,18)16-8-4-2-1-3-7-15/h5-6,9,16H,1-4,7-8,15H2.
What are the key properties of N-(6-aminohexyl)-2,5-difluorobenzenesulfonamide?
N-(6-aminohexyl)-2,5-difluorobenzenesulfonamide has a molecular weight of 292.35 g/mol, XLogP of 1.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminohexyl)-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 107844397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).