5-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]furan-2-sulfonamide

C9H11F3N2O3S — CID 114158691

IUPAC5-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]furan-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(CNC2(C(F)(F)F)CC2)o1
InChIInChI=1S/C9H11F3N2O3S/c10-9(11,12)8(3-4-8)14-5-6-1-2-7(17-6)18(13,15)16/h1-2,14H,3-5H2,(H2,13,15,16)
InChIKeyGHAXMOOGAYMDMY-UHFFFAOYSA-N
MW284.26 g/mol
LogP1.11
Rot. Bonds4

About 5-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]furan-2-sulfonamide

5-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]furan-2-sulfonamide (PubChem CID 114158691) has the molecular formula C9H11F3N2O3S and a molecular weight of 284.26 g/mol. Its IUPAC name is 5-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]furan-2-sulfonamide.

Molecular Properties

Compound Name5-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]furan-2-sulfonamide
PubChem CID114158691
Molecular FormulaC9H11F3N2O3S
Molecular Weight284.26 g/mol
Exact Mass284.04
IUPAC Name5-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]furan-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(CNC2(C(F)(F)F)CC2)o1
InChIInChI=1S/C9H11F3N2O3S/c10-9(11,12)8(3-4-8)14-5-6-1-2-7(17-6)18(13,15)16/h1-2,14H,3-5H2,(H2,13,15,16)
InChIKeyGHAXMOOGAYMDMY-UHFFFAOYSA-N
XLogP1.11
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-(furan-2-ylmethylamino)ethanesulfonamide
CID 44602033
N-[2-(cyclohex-1-en-1-yl)ethyl]-5-(cyclopropylsulfamoyl)furan-2-carboxamide
CID 40151015
5-(tert-butylsulfamoyl)-N-(2,2,2-trifluoroethyl)furan-2-carboxamide
CID 38835018
5-pyrrolidin-1-ylsulfonyl-N-(2,2,2-trifluoroethyl)furan-2-carboxamide
CID 40052998
N-[2-(dimethylamino)-2-methylpropyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 45817519
5-(cyclopropylsulfamoyl)-N-methylfuran-2-carboxamide
CID 47178151
2-[[5-(Dimethylsulfamoyl)furan-2-yl]methyl-propan-2-ylamino]acetamide
CID 47280099
2-[Methyl-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]amino]acetamide
CID 53515762
5-[(2,4-dimethylpiperazin-1-yl)methyl]-N,N-dimethylfuran-2-sulfonamide
CID 71877572
5-[[cyclopropylmethyl(methyl)amino]methyl]-N,N-dimethylfuran-2-sulfonamide
CID 71939890
5-[[cyclopropyl(ethyl)amino]methyl]-N,N-dimethylfuran-2-sulfonamide
CID 71939983
1-cyclopropylsulfonyl-N-(furan-2-ylmethyl)piperidin-4-amine
CID 71973544

Frequently Asked Questions

What is the IUPAC name of 5-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]furan-2-sulfonamide?
The IUPAC name of 5-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]furan-2-sulfonamide (CID 114158691) is 5-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]furan-2-sulfonamide.
What is the SMILES notation for 5-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]furan-2-sulfonamide?
The canonical SMILES for 5-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]furan-2-sulfonamide is NS(=O)(=O)c1ccc(CNC2(C(F)(F)F)CC2)o1.
What is the InChIKey of 5-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]furan-2-sulfonamide?
The InChIKey is GHAXMOOGAYMDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O3S/c10-9(11,12)8(3-4-8)14-5-6-1-2-7(17-6)18(13,15)16/h1-2,14H,3-5H2,(H2,13,15,16).
What are the key properties of 5-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]furan-2-sulfonamide?
5-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]furan-2-sulfonamide has a molecular weight of 284.26 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]furan-2-sulfonamide is sourced from PubChem (CID 114158691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).