3-fluoro-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzenesulfonamide

C15H14FN3O3S — CID 122266105

IUPAC3-fluoro-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzenesulfonamide
SMILESO=S(=O)(NCC(c1ccco1)n1cccn1)c1cccc(F)c1
InChIInChI=1S/C15H14FN3O3S/c16-12-4-1-5-13(10-12)23(20,21)18-11-14(15-6-2-9-22-15)19-8-3-7-17-19/h1-10,14,18H,11H2
InChIKeyQMGVOUIENKSVGO-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.18
Rot. Bonds6

About 3-fluoro-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzenesulfonamide

3-fluoro-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzenesulfonamide (PubChem CID 122266105) has the molecular formula C15H14FN3O3S and a molecular weight of 335.36 g/mol. Its IUPAC name is 3-fluoro-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzenesulfonamide
PubChem CID122266105
Molecular FormulaC15H14FN3O3S
Molecular Weight335.36 g/mol
Exact Mass335.07
IUPAC Name3-fluoro-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzenesulfonamide
SMILESO=S(=O)(NCC(c1ccco1)n1cccn1)c1cccc(F)c1
InChIInChI=1S/C15H14FN3O3S/c16-12-4-1-5-13(10-12)23(20,21)18-11-14(15-6-2-9-22-15)19-8-3-7-17-19/h1-10,14,18H,11H2
InChIKeyQMGVOUIENKSVGO-UHFFFAOYSA-N
XLogP2.18
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-bromo-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]methanesulfonamide
CID 122266102
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]quinoline-8-sulfonamide
CID 122266153
5-ethyl-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]thiophene-2-sulfonamide
CID 122266119
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 122266139
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 122266192
2,6-difluoro-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzamide
CID 122265973
methyl 3-[[2-(furan-2-yl)-2-pyrazol-1-ylethyl]sulfamoyl]-4-methoxybenzoate
CID 122266198
N-(furan-2-ylmethyl)-N'-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxamide
CID 122266212
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methylsulfonylbenzenesulfonamide
CID 55559240
N-(2-aminobutyl)-3-fluorobenzenesulfonamide
CID 63731601
3-fluoro-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide
CID 47023210
3-fluoro-N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 30170522

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzenesulfonamide (CID 122266105) is 3-fluoro-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzenesulfonamide is O=S(=O)(NCC(c1ccco1)n1cccn1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzenesulfonamide?
The InChIKey is QMGVOUIENKSVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O3S/c16-12-4-1-5-13(10-12)23(20,21)18-11-14(15-6-2-9-22-15)19-8-3-7-17-19/h1-10,14,18H,11H2.
What are the key properties of 3-fluoro-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzenesulfonamide?
3-fluoro-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzenesulfonamide has a molecular weight of 335.36 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzenesulfonamide is sourced from PubChem (CID 122266105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).