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

C22H19F2N3O4S2 — CID 100654791

IUPACN-[2-[(3R)-3-(4-fluorophenyl)-2-(3-fluorophenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1C1=NN(S(=O)(=O)c2cccc(F)c2)[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C22H19F2N3O4S2/c1-32(28,29)26-20-8-3-2-7-19(20)21-14-22(15-9-11-16(23)12-10-15)27(25-21)33(30,31)18-6-4-5-17(24)13-18/h2-13,22,26H,14H2,1H3/t22-/m1/s1
InChIKeyPPRGAMGWQNJMCL-JOCHJYFZSA-N
MW491.54 g/mol
LogP3.88
Rot. Bonds6

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

N-[2-[(3R)-3-(4-fluorophenyl)-2-(3-fluorophenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide (PubChem CID 100654791) has the molecular formula C22H19F2N3O4S2 and a molecular weight of 491.54 g/mol. Its IUPAC name is N-[2-[(3R)-3-(4-fluorophenyl)-2-(3-fluorophenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(3R)-3-(4-fluorophenyl)-2-(3-fluorophenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
PubChem CID100654791
Molecular FormulaC22H19F2N3O4S2
Molecular Weight491.54 g/mol
Exact Mass491.08
IUPAC NameN-[2-[(3R)-3-(4-fluorophenyl)-2-(3-fluorophenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1C1=NN(S(=O)(=O)c2cccc(F)c2)[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C22H19F2N3O4S2/c1-32(28,29)26-20-8-3-2-7-19(20)21-14-22(15-9-11-16(23)12-10-15)27(25-21)33(30,31)18-6-4-5-17(24)13-18/h2-13,22,26H,14H2,1H3/t22-/m1/s1
InChIKeyPPRGAMGWQNJMCL-JOCHJYFZSA-N
XLogP3.88
TPSA95.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.54
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-(3-fluorophenyl)sulfonyl-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 119038813
N-[2-[(3S)-3-(2-fluorophenyl)-2-(3-fluorophenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 100655993
N-[3-[(3R)-2-(3-fluorophenyl)sulfonyl-3-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 99801351
N-[3-[2-(3-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 91653462
N-[2-[(3R)-3-(3-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 97072213
N-[2-[(3R)-3-(3-fluorophenyl)-2-(2-methylpropanoyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 97352495
N-[2-[3-(3-fluorophenyl)-2-(2-methylpropanoyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 75454338
N-[4-[(3R)-2-(3-chlorophenyl)sulfonyl-3-(3-fluorophenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 99801397
N-[2-[(3R)-3-(4-fluorophenyl)-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 41418321
N-[3-[(3R)-3-(4-fluorophenyl)-2-methylsulfonyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 7081242
N-[3-[(3S)-3-(4-fluorophenyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
CID 41043621
N-[2-[(3S)-2-(4-fluorophenyl)sulfonyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
CID 95789401

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-3-(4-fluorophenyl)-2-(3-fluorophenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[(3R)-3-(4-fluorophenyl)-2-(3-fluorophenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide (CID 100654791) is N-[2-[(3R)-3-(4-fluorophenyl)-2-(3-fluorophenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(3R)-3-(4-fluorophenyl)-2-(3-fluorophenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[(3R)-3-(4-fluorophenyl)-2-(3-fluorophenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccccc1C1=NN(S(=O)(=O)c2cccc(F)c2)[C@@H](c2ccc(F)cc2)C1.
What is the InChIKey of N-[2-[(3R)-3-(4-fluorophenyl)-2-(3-fluorophenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide?
The InChIKey is PPRGAMGWQNJMCL-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H19F2N3O4S2/c1-32(28,29)26-20-8-3-2-7-19(20)21-14-22(15-9-11-16(23)12-10-15)27(25-21)33(30,31)18-6-4-5-17(24)13-18/h2-13,22,26H,14H2,1H3/t22-/m1/s1.
What are the key properties of N-[2-[(3R)-3-(4-fluorophenyl)-2-(3-fluorophenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide?
N-[2-[(3R)-3-(4-fluorophenyl)-2-(3-fluorophenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide has a molecular weight of 491.54 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R)-3-(4-fluorophenyl)-2-(3-fluorophenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 100654791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).