2-[3-[3-amino-5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]phenyl]ethanesulfonamide

C18H17FN4O3S — CID 69405195

IUPAC2-[3-[3-amino-5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]phenyl]ethanesulfonamide
SMILESNc1n[nH]c(-c2ccc(F)cc2)c1C(=O)c1cccc(CCS(N)(=O)=O)c1
InChIInChI=1S/C18H17FN4O3S/c19-14-6-4-12(5-7-14)16-15(18(20)23-22-16)17(24)13-3-1-2-11(10-13)8-9-27(21,25)26/h1-7,10H,8-9H2,(H3,20,22,23)(H2,21,25,26)
InChIKeyKASYFJVBTNUOSB-UHFFFAOYSA-N
MW388.42 g/mol
LogP1.86
Rot. Bonds6

About 2-[3-[3-amino-5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]phenyl]ethanesulfonamide

2-[3-[3-amino-5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]phenyl]ethanesulfonamide (PubChem CID 69405195) has the molecular formula C18H17FN4O3S and a molecular weight of 388.42 g/mol. Its IUPAC name is 2-[3-[3-amino-5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]phenyl]ethanesulfonamide.

Molecular Properties

Compound Name2-[3-[3-amino-5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]phenyl]ethanesulfonamide
PubChem CID69405195
Molecular FormulaC18H17FN4O3S
Molecular Weight388.42 g/mol
Exact Mass388.10
IUPAC Name2-[3-[3-amino-5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]phenyl]ethanesulfonamide
SMILESNc1n[nH]c(-c2ccc(F)cc2)c1C(=O)c1cccc(CCS(N)(=O)=O)c1
InChIInChI=1S/C18H17FN4O3S/c19-14-6-4-12(5-7-14)16-15(18(20)23-22-16)17(24)13-3-1-2-11(10-13)8-9-27(21,25)26/h1-7,10H,8-9H2,(H3,20,22,23)(H2,21,25,26)
InChIKeyKASYFJVBTNUOSB-UHFFFAOYSA-N
XLogP1.86
TPSA131.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-amino-5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]phenyl]ethanesulfonamide?
The IUPAC name of 2-[3-[3-amino-5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]phenyl]ethanesulfonamide (CID 69405195) is 2-[3-[3-amino-5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]phenyl]ethanesulfonamide.
What is the SMILES notation for 2-[3-[3-amino-5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]phenyl]ethanesulfonamide?
The canonical SMILES for 2-[3-[3-amino-5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]phenyl]ethanesulfonamide is Nc1n[nH]c(-c2ccc(F)cc2)c1C(=O)c1cccc(CCS(N)(=O)=O)c1.
What is the InChIKey of 2-[3-[3-amino-5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]phenyl]ethanesulfonamide?
The InChIKey is KASYFJVBTNUOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O3S/c19-14-6-4-12(5-7-14)16-15(18(20)23-22-16)17(24)13-3-1-2-11(10-13)8-9-27(21,25)26/h1-7,10H,8-9H2,(H3,20,22,23)(H2,21,25,26).
What are the key properties of 2-[3-[3-amino-5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]phenyl]ethanesulfonamide?
2-[3-[3-amino-5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]phenyl]ethanesulfonamide has a molecular weight of 388.42 g/mol, XLogP of 1.86, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-amino-5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]phenyl]ethanesulfonamide is sourced from PubChem (CID 69405195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).