N-[2-[2-(furan-2-carbonyl)-3-(3-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide

C22H21N3O4S — CID 71848033

IUPACN-[2-[2-(furan-2-carbonyl)-3-(3-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
SMILESCc1cccc(C2CC(c3ccccc3NS(C)(=O)=O)=NN2C(=O)c2ccco2)c1
InChIInChI=1S/C22H21N3O4S/c1-15-7-5-8-16(13-15)20-14-19(23-25(20)22(26)21-11-6-12-29-21)17-9-3-4-10-18(17)24-30(2,27)28/h3-13,20,24H,14H2,1-2H3
InChIKeyGYUOJNQXJURYSK-UHFFFAOYSA-N
MW423.49 g/mol
LogP3.95
Rot. Bonds5

About N-[2-[2-(furan-2-carbonyl)-3-(3-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide

N-[2-[2-(furan-2-carbonyl)-3-(3-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide (PubChem CID 71848033) has the molecular formula C22H21N3O4S and a molecular weight of 423.49 g/mol. Its IUPAC name is N-[2-[2-(furan-2-carbonyl)-3-(3-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(furan-2-carbonyl)-3-(3-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
PubChem CID71848033
Molecular FormulaC22H21N3O4S
Molecular Weight423.49 g/mol
Exact Mass423.13
IUPAC NameN-[2-[2-(furan-2-carbonyl)-3-(3-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
SMILESCc1cccc(C2CC(c3ccccc3NS(C)(=O)=O)=NN2C(=O)c2ccco2)c1
InChIInChI=1S/C22H21N3O4S/c1-15-7-5-8-16(13-15)20-14-19(23-25(20)22(26)21-11-6-12-29-21)17-9-3-4-10-18(17)24-30(2,27)28/h3-13,20,24H,14H2,1-2H3
InChIKeyGYUOJNQXJURYSK-UHFFFAOYSA-N
XLogP3.95
TPSA91.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(3R)-3-(3,5-dimethoxyphenyl)-2-(furan-2-carbonyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 100663544
N-[2-[3-(3-methylphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 71906254
N-[2-[3-(3-methylphenyl)-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 71946477
N-[2-[(3R)-3-(3-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 97072213
furan-2-yl-[(3R)-5-(2-hydroxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 135556947
N-[2-[(3S)-2-acetyl-3-(3-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]benzenesulfonamide
CID 97072188
N-[2-[(3R)-2-acetyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 40819623
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
[5-(furan-2-yl)-3-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 71779741
[(3S)-3-(3-ethoxyphenyl)-5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
CID 136748592
furan-2-yl-[3-(2-hydroxyphenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 86805889

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(furan-2-carbonyl)-3-(3-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[2-(furan-2-carbonyl)-3-(3-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide (CID 71848033) is N-[2-[2-(furan-2-carbonyl)-3-(3-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[2-(furan-2-carbonyl)-3-(3-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[2-(furan-2-carbonyl)-3-(3-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide is Cc1cccc(C2CC(c3ccccc3NS(C)(=O)=O)=NN2C(=O)c2ccco2)c1.
What is the InChIKey of N-[2-[2-(furan-2-carbonyl)-3-(3-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide?
The InChIKey is GYUOJNQXJURYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4S/c1-15-7-5-8-16(13-15)20-14-19(23-25(20)22(26)21-11-6-12-29-21)17-9-3-4-10-18(17)24-30(2,27)28/h3-13,20,24H,14H2,1-2H3.
What are the key properties of N-[2-[2-(furan-2-carbonyl)-3-(3-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide?
N-[2-[2-(furan-2-carbonyl)-3-(3-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide has a molecular weight of 423.49 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(furan-2-carbonyl)-3-(3-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 71848033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).