2,6-difluoro-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide

C12H18F2N2O2S — CID 43606877

IUPAC2,6-difluoro-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide
SMILESCC(C)NCCCNS(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C12H18F2N2O2S/c1-9(2)15-7-4-8-16-19(17,18)12-10(13)5-3-6-11(12)14/h3,5-6,9,15-16H,4,7-8H2,1-2H3
InChIKeyGXSNYAQJWDRGNT-UHFFFAOYSA-N
MW292.35 g/mol
LogP1.63
Rot. Bonds7

About 2,6-difluoro-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide

2,6-difluoro-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide (PubChem CID 43606877) has the molecular formula C12H18F2N2O2S and a molecular weight of 292.35 g/mol. Its IUPAC name is 2,6-difluoro-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide
PubChem CID43606877
Molecular FormulaC12H18F2N2O2S
Molecular Weight292.35 g/mol
Exact Mass292.11
IUPAC Name2,6-difluoro-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide
SMILESCC(C)NCCCNS(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C12H18F2N2O2S/c1-9(2)15-7-4-8-16-19(17,18)12-10(13)5-3-6-11(12)14/h3,5-6,9,15-16H,4,7-8H2,1-2H3
InChIKeyGXSNYAQJWDRGNT-UHFFFAOYSA-N
XLogP1.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 51.63
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

2,6-difluoro-N-(4-hydroxypentyl)benzenesulfonamide
CID 107271298
2-bromo-4,6-difluoro-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide
CID 43606874
N-(2-aminoethyl)-2,6-difluorobenzenesulfonamide
CID 43603529
propan-2-yl 3-[(2,6-difluorophenyl)sulfonylamino]propanoate
CID 47121963
2-[(2,6-difluorophenyl)sulfonylamino]ethyl-dimethylazanium
CID 8716783
3,5-difluoro-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide
CID 43606868
2,6-difluoro-N-(3-propoxypropyl)benzenesulfonamide
CID 3851182
2,6-difluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 3847681
N-[3-[1-(2,6-difluorophenyl)ethylamino]propyl]methanesulfonamide
CID 103776626
4-methylsulfonyl-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide
CID 43606848
3-methoxy-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide
CID 81259985
N-[3-[1-(2-fluorophenyl)propan-2-ylamino]propyl]methanesulfonamide
CID 102612376

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide (CID 43606877) is 2,6-difluoro-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide is CC(C)NCCCNS(=O)(=O)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide?
The InChIKey is GXSNYAQJWDRGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O2S/c1-9(2)15-7-4-8-16-19(17,18)12-10(13)5-3-6-11(12)14/h3,5-6,9,15-16H,4,7-8H2,1-2H3.
What are the key properties of 2,6-difluoro-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide?
2,6-difluoro-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide has a molecular weight of 292.35 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide is sourced from PubChem (CID 43606877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).