3,4-difluoro-N-[(2S)-2-[3-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]propyl]benzenesulfonamide

C22H24F2N2O4S — CID 42330883

IUPAC3,4-difluoro-N-[(2S)-2-[3-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]propyl]benzenesulfonamide
SMILESC[C@@H](CNS(=O)(=O)c1ccc(F)c(F)c1)Oc1cccc(CN(C)Cc2ccoc2)c1
InChIInChI=1S/C22H24F2N2O4S/c1-16(12-25-31(27,28)20-6-7-21(23)22(24)11-20)30-19-5-3-4-17(10-19)13-26(2)14-18-8-9-29-15-18/h3-11,15-16,25H,12-14H2,1-2H3/t16-/m0/s1
InChIKeyCBDATMOMFLVPHW-INIZCTEOSA-N
MW450.51 g/mol
LogP3.94
Rot. Bonds10

About 3,4-difluoro-N-[(2S)-2-[3-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]propyl]benzenesulfonamide

3,4-difluoro-N-[(2S)-2-[3-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]propyl]benzenesulfonamide (PubChem CID 42330883) has the molecular formula C22H24F2N2O4S and a molecular weight of 450.51 g/mol. Its IUPAC name is 3,4-difluoro-N-[(2S)-2-[3-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]propyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-[(2S)-2-[3-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]propyl]benzenesulfonamide
PubChem CID42330883
Molecular FormulaC22H24F2N2O4S
Molecular Weight450.51 g/mol
Exact Mass450.14
IUPAC Name3,4-difluoro-N-[(2S)-2-[3-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]propyl]benzenesulfonamide
SMILESC[C@@H](CNS(=O)(=O)c1ccc(F)c(F)c1)Oc1cccc(CN(C)Cc2ccoc2)c1
InChIInChI=1S/C22H24F2N2O4S/c1-16(12-25-31(27,28)20-6-7-21(23)22(24)11-20)30-19-5-3-4-17(10-19)13-26(2)14-18-8-9-29-15-18/h3-11,15-16,25H,12-14H2,1-2H3/t16-/m0/s1
InChIKeyCBDATMOMFLVPHW-INIZCTEOSA-N
XLogP3.94
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.51
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,4-difluoro-N-[(2S)-2-[3-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]propyl]benzenesulfonamide with MolForge

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Related Compounds

N-[2-[3-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]propyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 45194851
N-[2-[3-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 118755066
N-[2-[3-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]propyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 118758041
3-[[(3,4-difluorophenyl)sulfonylamino]methyl]pentanoic acid
CID 81066946
N-[(3-chlorophenyl)methyl]-3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
CID 55348829
3-[(3,4-difluorophenyl)sulfonylamino]-N-[3-[(dimethylamino)methyl]phenyl]propanamide
CID 86979332
3-fluoro-N-(2-methoxypropyl)benzenesulfonamide
CID 102697449
methyl 2-chloro-3-[(3,4-difluorophenyl)sulfonylamino]propanoate
CID 103493543
N,N-dimethyl-3-[[(2S)-2-pyridin-3-yloxypropyl]sulfamoyl]benzamide
CID 99931121
5-[(3,4-difluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 82683500
[2-[benzyl(methyl)amino]-2-oxoethyl] 3-[(3,4-difluorophenyl)sulfonylamino]propanoate
CID 33147743
3-amino-4-fluoro-N-(furan-3-ylmethyl)-N-methylbenzenesulfonamide
CID 61422118

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[(2S)-2-[3-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]propyl]benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-[(2S)-2-[3-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]propyl]benzenesulfonamide (CID 42330883) is 3,4-difluoro-N-[(2S)-2-[3-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]propyl]benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-[(2S)-2-[3-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]propyl]benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-[(2S)-2-[3-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]propyl]benzenesulfonamide is C[C@@H](CNS(=O)(=O)c1ccc(F)c(F)c1)Oc1cccc(CN(C)Cc2ccoc2)c1.
What is the InChIKey of 3,4-difluoro-N-[(2S)-2-[3-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]propyl]benzenesulfonamide?
The InChIKey is CBDATMOMFLVPHW-INIZCTEOSA-N. The full InChI is InChI=1S/C22H24F2N2O4S/c1-16(12-25-31(27,28)20-6-7-21(23)22(24)11-20)30-19-5-3-4-17(10-19)13-26(2)14-18-8-9-29-15-18/h3-11,15-16,25H,12-14H2,1-2H3/t16-/m0/s1.
What are the key properties of 3,4-difluoro-N-[(2S)-2-[3-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]propyl]benzenesulfonamide?
3,4-difluoro-N-[(2S)-2-[3-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]propyl]benzenesulfonamide has a molecular weight of 450.51 g/mol, XLogP of 3.94, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[(2S)-2-[3-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]propyl]benzenesulfonamide is sourced from PubChem (CID 42330883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).