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

C24H24FN3O5S2 — CID 3452935

IUPACN-[4-[3-(4-fluorophenyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3ccc(OC)cc3)C(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C24H24FN3O5S2/c1-3-34(29,30)27-20-10-6-17(7-11-20)23-16-24(18-4-8-19(25)9-5-18)28(26-23)35(31,32)22-14-12-21(33-2)13-15-22/h4-15,24,27H,3,16H2,1-2H3
InChIKeyUJLKQPQMABBRNW-UHFFFAOYSA-N
MW517.60 g/mol
LogP4.14
Rot. Bonds8

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

N-[4-[3-(4-fluorophenyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide (PubChem CID 3452935) has the molecular formula C24H24FN3O5S2 and a molecular weight of 517.60 g/mol. Its IUPAC name is N-[4-[3-(4-fluorophenyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-[3-(4-fluorophenyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
PubChem CID3452935
Molecular FormulaC24H24FN3O5S2
Molecular Weight517.60 g/mol
Exact Mass517.11
IUPAC NameN-[4-[3-(4-fluorophenyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3ccc(OC)cc3)C(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C24H24FN3O5S2/c1-3-34(29,30)27-20-10-6-17(7-11-20)23-16-24(18-4-8-19(25)9-5-18)28(26-23)35(31,32)22-14-12-21(33-2)13-15-22/h4-15,24,27H,3,16H2,1-2H3
InChIKeyUJLKQPQMABBRNW-UHFFFAOYSA-N
XLogP4.14
TPSA105.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.60
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-fluorophenyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide?
The IUPAC name of N-[4-[3-(4-fluorophenyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide (CID 3452935) is N-[4-[3-(4-fluorophenyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-[3-(4-fluorophenyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-[3-(4-fluorophenyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3ccc(OC)cc3)C(c3ccc(F)cc3)C2)cc1.
What is the InChIKey of N-[4-[3-(4-fluorophenyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide?
The InChIKey is UJLKQPQMABBRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O5S2/c1-3-34(29,30)27-20-10-6-17(7-11-20)23-16-24(18-4-8-19(25)9-5-18)28(26-23)35(31,32)22-14-12-21(33-2)13-15-22/h4-15,24,27H,3,16H2,1-2H3.
What are the key properties of N-[4-[3-(4-fluorophenyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide?
N-[4-[3-(4-fluorophenyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide has a molecular weight of 517.60 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-fluorophenyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide is sourced from PubChem (CID 3452935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).