N-[4-[2-acetyl-3-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide

C19H20FN3O3S — CID 4679864

IUPACN-[4-[2-acetyl-3-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(C2=NN(C(C)=O)C(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C19H20FN3O3S/c1-3-27(25,26)22-17-10-6-14(7-11-17)18-12-19(23(21-18)13(2)24)15-4-8-16(20)9-5-15/h4-11,19,22H,3,12H2,1-2H3
InChIKeyFUSVCUYHBKBVDD-UHFFFAOYSA-N
MW389.45 g/mol
LogP3.28
Rot. Bonds5

About N-[4-[2-acetyl-3-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide

N-[4-[2-acetyl-3-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide (PubChem CID 4679864) has the molecular formula C19H20FN3O3S and a molecular weight of 389.45 g/mol. Its IUPAC name is N-[4-[2-acetyl-3-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-acetyl-3-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
PubChem CID4679864
Molecular FormulaC19H20FN3O3S
Molecular Weight389.45 g/mol
Exact Mass389.12
IUPAC NameN-[4-[2-acetyl-3-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(C2=NN(C(C)=O)C(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C19H20FN3O3S/c1-3-27(25,26)22-17-10-6-14(7-11-17)18-12-19(23(21-18)13(2)24)15-4-8-16(20)9-5-15/h4-11,19,22H,3,12H2,1-2H3
InChIKeyFUSVCUYHBKBVDD-UHFFFAOYSA-N
XLogP3.28
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 2981553
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CID 16189360
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CID 5019487
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CID 3350143
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CID 3417745
CID 3417745
CID 16189458
CID 16189458
CID 42956560
CID 42956560
CID 4209901
CID 4209901
CID 5054109
CID 5054109
CID 4164844
CID 4164844
CID 18593971
CID 18593971
CID 2980061
CID 2980061

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-acetyl-3-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide?
The IUPAC name of N-[4-[2-acetyl-3-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide (CID 4679864) is N-[4-[2-acetyl-3-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-[2-acetyl-3-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-[2-acetyl-3-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(C2=NN(C(C)=O)C(c3ccc(F)cc3)C2)cc1.
What is the InChIKey of N-[4-[2-acetyl-3-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide?
The InChIKey is FUSVCUYHBKBVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3S/c1-3-27(25,26)22-17-10-6-14(7-11-17)18-12-19(23(21-18)13(2)24)15-4-8-16(20)9-5-15/h4-11,19,22H,3,12H2,1-2H3.
What are the key properties of N-[4-[2-acetyl-3-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide?
N-[4-[2-acetyl-3-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide has a molecular weight of 389.45 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-acetyl-3-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide is sourced from PubChem (CID 4679864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).