N-[3-[(3R)-3-(furan-2-yl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]benzenesulfonamide

C22H21N3O4S — CID 51701433

IUPACN-[3-[(3R)-3-(furan-2-yl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]benzenesulfonamide
SMILESCCC(=O)N1N=C(c2cccc(NS(=O)(=O)c3ccccc3)c2)C[C@@H]1c1ccco1
InChIInChI=1S/C22H21N3O4S/c1-2-22(26)25-20(21-12-7-13-29-21)15-19(23-25)16-8-6-9-17(14-16)24-30(27,28)18-10-4-3-5-11-18/h3-14,20,24H,2,15H2,1H3/t20-/m1/s1
InChIKeyIISAETZLDLGYNJ-HXUWFJFHSA-N
MW423.49 g/mol
LogP4.17
Rot. Bonds6

About N-[3-[(3R)-3-(furan-2-yl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]benzenesulfonamide

N-[3-[(3R)-3-(furan-2-yl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]benzenesulfonamide (PubChem CID 51701433) has the molecular formula C22H21N3O4S and a molecular weight of 423.49 g/mol. Its IUPAC name is N-[3-[(3R)-3-(furan-2-yl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[(3R)-3-(furan-2-yl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]benzenesulfonamide
PubChem CID51701433
Molecular FormulaC22H21N3O4S
Molecular Weight423.49 g/mol
Exact Mass423.13
IUPAC NameN-[3-[(3R)-3-(furan-2-yl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]benzenesulfonamide
SMILESCCC(=O)N1N=C(c2cccc(NS(=O)(=O)c3ccccc3)c2)C[C@@H]1c1ccco1
InChIInChI=1S/C22H21N3O4S/c1-2-22(26)25-20(21-12-7-13-29-21)15-19(23-25)16-8-6-9-17(14-16)24-30(27,28)18-10-4-3-5-11-18/h3-14,20,24H,2,15H2,1H3/t20-/m1/s1
InChIKeyIISAETZLDLGYNJ-HXUWFJFHSA-N
XLogP4.17
TPSA91.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(3S)-3-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazol-5-yl]phenyl]benzenesulfonamide
CID 1264833
4-[(3S)-3-(furan-2-yl)-5-[3-(methanesulfonamido)phenyl]-3,4-dihydropyrazol-2-yl]-4-oxobutanoate
CID 7081161
N-[4-[(3S)-2-benzoyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]benzenesulfonamide
CID 1244835
N-[3-[(3S)-2-acetyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]-2-methylbenzenesulfonamide
CID 124886362
N-[3-[2-(cyclohexanecarbonyl)-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 18553452
N-[3-[(3R)-2-acetyl-3-(5-methylfuran-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]benzenesulfonamide
CID 97071270
N-[3-[(3S)-2-(5-bromofuran-2-carbonyl)-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 51967931
N-[3-[2-acetyl-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl]benzenesulfonamide
CID 16801179
N-[3-[(3R)-3-(furan-2-yl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
CID 41043630
N-[3-[2-(furan-2-carbonyl)-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]acetamide
CID 16590143
N-[3-[(3R)-3-(3-fluorophenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 7081182
N-[4-[(3R)-2-acetyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]-4-chlorobenzenesulfonamide
CID 41168401

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3R)-3-(furan-2-yl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]benzenesulfonamide?
The IUPAC name of N-[3-[(3R)-3-(furan-2-yl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]benzenesulfonamide (CID 51701433) is N-[3-[(3R)-3-(furan-2-yl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[3-[(3R)-3-(furan-2-yl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]benzenesulfonamide?
The canonical SMILES for N-[3-[(3R)-3-(furan-2-yl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]benzenesulfonamide is CCC(=O)N1N=C(c2cccc(NS(=O)(=O)c3ccccc3)c2)C[C@@H]1c1ccco1.
What is the InChIKey of N-[3-[(3R)-3-(furan-2-yl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]benzenesulfonamide?
The InChIKey is IISAETZLDLGYNJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H21N3O4S/c1-2-22(26)25-20(21-12-7-13-29-21)15-19(23-25)16-8-6-9-17(14-16)24-30(27,28)18-10-4-3-5-11-18/h3-14,20,24H,2,15H2,1H3/t20-/m1/s1.
What are the key properties of N-[3-[(3R)-3-(furan-2-yl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]benzenesulfonamide?
N-[3-[(3R)-3-(furan-2-yl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]benzenesulfonamide has a molecular weight of 423.49 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3R)-3-(furan-2-yl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 51701433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).