N-(2,2-difluoro-3-hydroxypropyl)-5-[(2-methylpropylamino)methyl]furan-2-sulfonamide

C12H20F2N2O4S — CID 106177091

IUPACN-(2,2-difluoro-3-hydroxypropyl)-5-[(2-methylpropylamino)methyl]furan-2-sulfonamide
SMILESCC(C)CNCc1ccc(S(=O)(=O)NCC(F)(F)CO)o1
InChIInChI=1S/C12H20F2N2O4S/c1-9(2)5-15-6-10-3-4-11(20-10)21(18,19)16-7-12(13,14)8-17/h3-4,9,15-17H,5-8H2,1-2H3
InChIKeyTXKBQJYZHMTJKJ-UHFFFAOYSA-N
MW326.37 g/mol
LogP0.93
Rot. Bonds9

About N-(2,2-difluoro-3-hydroxypropyl)-5-[(2-methylpropylamino)methyl]furan-2-sulfonamide

N-(2,2-difluoro-3-hydroxypropyl)-5-[(2-methylpropylamino)methyl]furan-2-sulfonamide (PubChem CID 106177091) has the molecular formula C12H20F2N2O4S and a molecular weight of 326.37 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-5-[(2-methylpropylamino)methyl]furan-2-sulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-5-[(2-methylpropylamino)methyl]furan-2-sulfonamide
PubChem CID106177091
Molecular FormulaC12H20F2N2O4S
Molecular Weight326.37 g/mol
Exact Mass326.11
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-5-[(2-methylpropylamino)methyl]furan-2-sulfonamide
SMILESCC(C)CNCc1ccc(S(=O)(=O)NCC(F)(F)CO)o1
InChIInChI=1S/C12H20F2N2O4S/c1-9(2)5-15-6-10-3-4-11(20-10)21(18,19)16-7-12(13,14)8-17/h3-4,9,15-17H,5-8H2,1-2H3
InChIKeyTXKBQJYZHMTJKJ-UHFFFAOYSA-N
XLogP0.93
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxy-2-methylpropyl)-5-[(2-methylpropylamino)methyl]furan-2-sulfonamide
CID 104766789
N',N'-dimethyl-5-[(2-methylpropylamino)methyl]furan-2-sulfonohydrazide
CID 83025121
5-[(2,2-difluoroethylamino)methyl]-N-methylfuran-2-sulfonamide
CID 115405595
5-(ethylaminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]furan-2-sulfonamide
CID 106433466
3-[(5-ethylfuran-2-yl)methylamino]-2,2-difluoropropan-1-ol
CID 104857374
5-(ethylaminomethyl)-N-(3-methylpentan-3-yl)furan-2-sulfonamide
CID 106331722
4-amino-N-(2,2-difluoro-3-hydroxypropyl)-3-methylbenzenesulfonamide
CID 106165658
5-(ethylaminomethyl)-N-(4-hydroxybutyl)furan-2-sulfonamide
CID 106846834
5-[(2-methoxyethylamino)methyl]-N-(2-methoxypropyl)furan-2-sulfonamide
CID 102701246
5-(ethylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)furan-2-sulfonamide
CID 106423367
5-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]furan-2-sulfonamide
CID 102904622
N-(2,2-difluoro-3-hydroxypropyl)-3-fluorobenzenesulfonamide
CID 104858703

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-5-[(2-methylpropylamino)methyl]furan-2-sulfonamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-5-[(2-methylpropylamino)methyl]furan-2-sulfonamide (CID 106177091) is N-(2,2-difluoro-3-hydroxypropyl)-5-[(2-methylpropylamino)methyl]furan-2-sulfonamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-5-[(2-methylpropylamino)methyl]furan-2-sulfonamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-5-[(2-methylpropylamino)methyl]furan-2-sulfonamide is CC(C)CNCc1ccc(S(=O)(=O)NCC(F)(F)CO)o1.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-5-[(2-methylpropylamino)methyl]furan-2-sulfonamide?
The InChIKey is TXKBQJYZHMTJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N2O4S/c1-9(2)5-15-6-10-3-4-11(20-10)21(18,19)16-7-12(13,14)8-17/h3-4,9,15-17H,5-8H2,1-2H3.
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-5-[(2-methylpropylamino)methyl]furan-2-sulfonamide?
N-(2,2-difluoro-3-hydroxypropyl)-5-[(2-methylpropylamino)methyl]furan-2-sulfonamide has a molecular weight of 326.37 g/mol, XLogP of 0.93, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-5-[(2-methylpropylamino)methyl]furan-2-sulfonamide is sourced from PubChem (CID 106177091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).