N-[1-(2-fluorophenyl)ethyl]-1H-pyrazole-4-sulfonamide

C11H12FN3O2S — CID 54934224

IUPACN-[1-(2-fluorophenyl)ethyl]-1H-pyrazole-4-sulfonamide
SMILESCC(NS(=O)(=O)c1cn[nH]c1)c1ccccc1F
InChIInChI=1S/C11H12FN3O2S/c1-8(10-4-2-3-5-11(10)12)15-18(16,17)9-6-13-14-7-9/h2-8,15H,1H3,(H,13,14)
InChIKeyTUOIANAAQCWORT-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.59
Rot. Bonds4

About N-[1-(2-fluorophenyl)ethyl]-1H-pyrazole-4-sulfonamide

N-[1-(2-fluorophenyl)ethyl]-1H-pyrazole-4-sulfonamide (PubChem CID 54934224) has the molecular formula C11H12FN3O2S and a molecular weight of 269.30 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)ethyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)ethyl]-1H-pyrazole-4-sulfonamide
PubChem CID54934224
Molecular FormulaC11H12FN3O2S
Molecular Weight269.30 g/mol
Exact Mass269.06
IUPAC NameN-[1-(2-fluorophenyl)ethyl]-1H-pyrazole-4-sulfonamide
SMILESCC(NS(=O)(=O)c1cn[nH]c1)c1ccccc1F
InChIInChI=1S/C11H12FN3O2S/c1-8(10-4-2-3-5-11(10)12)15-18(16,17)9-6-13-14-7-9/h2-8,15H,1H3,(H,13,14)
InChIKeyTUOIANAAQCWORT-UHFFFAOYSA-N
XLogP1.59
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1H-pyrazole-4-sulfonamide
CID 61276318
2-amino-N-[1-(2-fluorophenyl)ethyl]pyrimidine-5-sulfonamide
CID 62156754
N-[1-(4-propan-2-ylphenyl)ethyl]-1H-pyrazole-4-sulfonamide
CID 47363914
N-[1-(2,4-dimethylphenyl)ethyl]-1H-pyrazole-4-sulfonamide
CID 54867726
5,6-dichloro-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide
CID 64608562
6-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide
CID 114613295
6-cyano-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide
CID 115602456
4-amino-3-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 82845290
2-amino-3-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 62057730
3,4-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 103854165
3-amino-N-[1-(2-fluorophenyl)ethyl]-5-methylbenzenesulfonamide
CID 61107588
N-[2-[1-(propylamino)ethyl]phenyl]-1H-pyrazole-4-sulfonamide
CID 60917157

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)ethyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[1-(2-fluorophenyl)ethyl]-1H-pyrazole-4-sulfonamide (CID 54934224) is N-[1-(2-fluorophenyl)ethyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)ethyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[1-(2-fluorophenyl)ethyl]-1H-pyrazole-4-sulfonamide is CC(NS(=O)(=O)c1cn[nH]c1)c1ccccc1F.
What is the InChIKey of N-[1-(2-fluorophenyl)ethyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is TUOIANAAQCWORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2S/c1-8(10-4-2-3-5-11(10)12)15-18(16,17)9-6-13-14-7-9/h2-8,15H,1H3,(H,13,14).
What are the key properties of N-[1-(2-fluorophenyl)ethyl]-1H-pyrazole-4-sulfonamide?
N-[1-(2-fluorophenyl)ethyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 269.30 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)ethyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54934224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).