N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)furan-2-sulfonamide;hydrochloride

C11H17ClF3N3O3S — CID 120876971

IUPACN-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)furan-2-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCC(N1CCNCC1)C(F)(F)F)c1ccco1
InChIInChI=1S/C11H16F3N3O3S.ClH/c12-11(13,14)9(17-5-3-15-4-6-17)8-16-21(18,19)10-2-1-7-20-10;/h1-2,7,9,15-16H,3-6,8H2;1H
InChIKeyCEROBUKRVJHPRL-UHFFFAOYSA-N
MW363.79 g/mol
LogP0.82
Rot. Bonds5

About N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)furan-2-sulfonamide;hydrochloride

N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)furan-2-sulfonamide;hydrochloride (PubChem CID 120876971) has the molecular formula C11H17ClF3N3O3S and a molecular weight of 363.79 g/mol. Its IUPAC name is N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)furan-2-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)furan-2-sulfonamide;hydrochloride
PubChem CID120876971
Molecular FormulaC11H17ClF3N3O3S
Molecular Weight363.79 g/mol
Exact Mass363.06
IUPAC NameN-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)furan-2-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCC(N1CCNCC1)C(F)(F)F)c1ccco1
InChIInChI=1S/C11H16F3N3O3S.ClH/c12-11(13,14)9(17-5-3-15-4-6-17)8-16-21(18,19)10-2-1-7-20-10;/h1-2,7,9,15-16H,3-6,8H2;1H
InChIKeyCEROBUKRVJHPRL-UHFFFAOYSA-N
XLogP0.82
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.79
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(azetidin-3-yl)furan-2-sulfonamide
CID 121553947
N-[(2S)-2-[furan-2-ylsulfonyl(methyl)amino]propyl]furan-2-sulfonamide
CID 124849735
(2S,6R)-4-(furan-3-ylsulfonyl)-2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperazine
CID 138018317
1-(Furan-2-sulfonyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine
CID 136534243
N-(1,2,2-trifluoroethyl)furan-2-sulfonamide
CID 175455633
N-[2-[2,2-difluoroethyl(methyl)amino]ethyl]-N-methylfuran-2-sulfonamide
CID 99802872
Methyl 5-[(3,3,3-trifluoro-2-piperazin-1-ylpropyl)sulfamoyl]furan-3-carboxylate;hydrochloride
CID 120778455
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)furan-2-sulfonamide
CID 120876972
N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]furan-2-sulfonamide
CID 121537418
N-(3-amino-2,2-difluoropropyl)furan-2-sulfonamide;hydrochloride
CID 121606724
N-(3-amino-2,2-difluoropropyl)furan-2-sulfonamide
CID 121606725
N-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]furan-2-sulfonamide
CID 124626698

Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)furan-2-sulfonamide;hydrochloride?
The IUPAC name of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)furan-2-sulfonamide;hydrochloride (CID 120876971) is N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)furan-2-sulfonamide;hydrochloride.
What is the SMILES notation for N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)furan-2-sulfonamide;hydrochloride?
The canonical SMILES for N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)furan-2-sulfonamide;hydrochloride is Cl.O=S(=O)(NCC(N1CCNCC1)C(F)(F)F)c1ccco1.
What is the InChIKey of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)furan-2-sulfonamide;hydrochloride?
The InChIKey is CEROBUKRVJHPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O3S.ClH/c12-11(13,14)9(17-5-3-15-4-6-17)8-16-21(18,19)10-2-1-7-20-10;/h1-2,7,9,15-16H,3-6,8H2;1H.
What are the key properties of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)furan-2-sulfonamide;hydrochloride?
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)furan-2-sulfonamide;hydrochloride has a molecular weight of 363.79 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)furan-2-sulfonamide;hydrochloride is sourced from PubChem (CID 120876971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).