N-[2-[di(propan-2-yl)amino]ethyl]-2,5-difluorobenzenesulfonamide

C14H22F2N2O2S — CID 78808057

IUPACN-[2-[di(propan-2-yl)amino]ethyl]-2,5-difluorobenzenesulfonamide
SMILESCC(C)N(CCNS(=O)(=O)c1cc(F)ccc1F)C(C)C
InChIInChI=1S/C14H22F2N2O2S/c1-10(2)18(11(3)4)8-7-17-21(19,20)14-9-12(15)5-6-13(14)16/h5-6,9-11,17H,7-8H2,1-4H3
InChIKeyXXLXRBBTZUEEAA-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.36
Rot. Bonds7

About N-[2-[di(propan-2-yl)amino]ethyl]-2,5-difluorobenzenesulfonamide

N-[2-[di(propan-2-yl)amino]ethyl]-2,5-difluorobenzenesulfonamide (PubChem CID 78808057) has the molecular formula C14H22F2N2O2S and a molecular weight of 320.41 g/mol. Its IUPAC name is N-[2-[di(propan-2-yl)amino]ethyl]-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[di(propan-2-yl)amino]ethyl]-2,5-difluorobenzenesulfonamide
PubChem CID78808057
Molecular FormulaC14H22F2N2O2S
Molecular Weight320.41 g/mol
Exact Mass320.14
IUPAC NameN-[2-[di(propan-2-yl)amino]ethyl]-2,5-difluorobenzenesulfonamide
SMILESCC(C)N(CCNS(=O)(=O)c1cc(F)ccc1F)C(C)C
InChIInChI=1S/C14H22F2N2O2S/c1-10(2)18(11(3)4)8-7-17-21(19,20)14-9-12(15)5-6-13(14)16/h5-6,9-11,17H,7-8H2,1-4H3
InChIKeyXXLXRBBTZUEEAA-UHFFFAOYSA-N
XLogP2.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorobutyl)-2,5-difluorobenzenesulfonamide
CID 65032947
N-(4-bromopentyl)-2,5-difluorobenzenesulfonamide
CID 106135621
2,5-difluoro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 83030725
methyl 2-[2-[(2,5-difluorophenyl)sulfonylamino]ethyl-methylamino]acetate
CID 75399126
2,5-difluoro-N-pent-3-ynylbenzenesulfonamide
CID 115977957
N-(6-aminohexyl)-2,5-difluorobenzenesulfonamide
CID 107844397
N-[2-(2-bromoethoxy)ethyl]-2,5-difluorobenzenesulfonamide
CID 113271438
2,5-difluoro-N-pent-4-ynylbenzenesulfonamide
CID 103698123
5-bromo-2-fluoro-N-(3-methylbutyl)benzenesulfonamide
CID 52821008
2-amino-N-[2-(dimethylamino)ethyl]-5-fluorobenzenesulfonamide
CID 54888461
2,5-difluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 19680619
N-[(2R)-1-aminopropan-2-yl]-2,5-difluorobenzenesulfonamide
CID 104873280

Frequently Asked Questions

What is the IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-2,5-difluorobenzenesulfonamide (CID 78808057) is N-[2-[di(propan-2-yl)amino]ethyl]-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-[2-[di(propan-2-yl)amino]ethyl]-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-[2-[di(propan-2-yl)amino]ethyl]-2,5-difluorobenzenesulfonamide is CC(C)N(CCNS(=O)(=O)c1cc(F)ccc1F)C(C)C.
What is the InChIKey of N-[2-[di(propan-2-yl)amino]ethyl]-2,5-difluorobenzenesulfonamide?
The InChIKey is XXLXRBBTZUEEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2O2S/c1-10(2)18(11(3)4)8-7-17-21(19,20)14-9-12(15)5-6-13(14)16/h5-6,9-11,17H,7-8H2,1-4H3.
What are the key properties of N-[2-[di(propan-2-yl)amino]ethyl]-2,5-difluorobenzenesulfonamide?
N-[2-[di(propan-2-yl)amino]ethyl]-2,5-difluorobenzenesulfonamide has a molecular weight of 320.41 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[di(propan-2-yl)amino]ethyl]-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 78808057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).