4-[3-(2-butyl-4-chloro-1H-imidazol-5-yl)-2-phenyl-3,4-dihydropyrazol-5-yl]benzenesulfonamide

C22H24ClN5O2S — CID 155811142

IUPAC4-[3-(2-butyl-4-chloro-1H-imidazol-5-yl)-2-phenyl-3,4-dihydropyrazol-5-yl]benzenesulfonamide
SMILESCCCCc1nc(Cl)c(C2CC(c3ccc(S(N)(=O)=O)cc3)=NN2c2ccccc2)[nH]1
InChIInChI=1S/C22H24ClN5O2S/c1-2-3-9-20-25-21(22(23)26-20)19-14-18(27-28(19)16-7-5-4-6-8-16)15-10-12-17(13-11-15)31(24,29)30/h4-8,10-13,19H,2-3,9,14H2,1H3,(H,25,26)(H2,24,29,30)
InChIKeyQJSHOUHNDHXGLX-UHFFFAOYSA-N
MW457.99 g/mol
LogP4.41
Rot. Bonds7

About 4-[3-(2-butyl-4-chloro-1H-imidazol-5-yl)-2-phenyl-3,4-dihydropyrazol-5-yl]benzenesulfonamide

4-[3-(2-butyl-4-chloro-1H-imidazol-5-yl)-2-phenyl-3,4-dihydropyrazol-5-yl]benzenesulfonamide (PubChem CID 155811142) has the molecular formula C22H24ClN5O2S and a molecular weight of 457.99 g/mol. Its IUPAC name is 4-[3-(2-butyl-4-chloro-1H-imidazol-5-yl)-2-phenyl-3,4-dihydropyrazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(2-butyl-4-chloro-1H-imidazol-5-yl)-2-phenyl-3,4-dihydropyrazol-5-yl]benzenesulfonamide
PubChem CID155811142
Molecular FormulaC22H24ClN5O2S
Molecular Weight457.99 g/mol
Exact Mass457.13
IUPAC Name4-[3-(2-butyl-4-chloro-1H-imidazol-5-yl)-2-phenyl-3,4-dihydropyrazol-5-yl]benzenesulfonamide
SMILESCCCCc1nc(Cl)c(C2CC(c3ccc(S(N)(=O)=O)cc3)=NN2c2ccccc2)[nH]1
InChIInChI=1S/C22H24ClN5O2S/c1-2-3-9-20-25-21(22(23)26-20)19-14-18(27-28(19)16-7-5-4-6-8-16)15-10-12-17(13-11-15)31(24,29)30/h4-8,10-13,19H,2-3,9,14H2,1H3,(H,25,26)(H2,24,29,30)
InChIKeyQJSHOUHNDHXGLX-UHFFFAOYSA-N
XLogP4.41
TPSA104.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.99
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(4-ethylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 166451571
2-[5-phenyl-2-(4-sulfamoylphenyl)-3,4-dihydropyrazol-3-yl]benzoic acid
CID 91969569
4-[3-(2-fluorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 16832268
2-[3-(2-butyl-4-chloro-1H-imidazol-5-yl)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3,4-dihydropyrazol-5-yl]-4-chlorophenol
CID 135924261
3,5-bis(4-methylsulfonylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 71408472
4-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide;4-[3-(3-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 159537183
2-bromo-6-[3-(2-butyl-4-chloro-1H-imidazol-5-yl)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3,4-dihydropyrazol-5-yl]-4-chlorophenol
CID 135924263
4-[3-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 127035964
4-[3-(4-chlorophenyl)-5-[4-(methanesulfonamido)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 126842653
4-[3-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 171343851
4-[3-(5-bromo-2-hydroxyphenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 121225773
4-[5-(3-fluorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 42628036

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-butyl-4-chloro-1H-imidazol-5-yl)-2-phenyl-3,4-dihydropyrazol-5-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(2-butyl-4-chloro-1H-imidazol-5-yl)-2-phenyl-3,4-dihydropyrazol-5-yl]benzenesulfonamide (CID 155811142) is 4-[3-(2-butyl-4-chloro-1H-imidazol-5-yl)-2-phenyl-3,4-dihydropyrazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(2-butyl-4-chloro-1H-imidazol-5-yl)-2-phenyl-3,4-dihydropyrazol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(2-butyl-4-chloro-1H-imidazol-5-yl)-2-phenyl-3,4-dihydropyrazol-5-yl]benzenesulfonamide is CCCCc1nc(Cl)c(C2CC(c3ccc(S(N)(=O)=O)cc3)=NN2c2ccccc2)[nH]1.
What is the InChIKey of 4-[3-(2-butyl-4-chloro-1H-imidazol-5-yl)-2-phenyl-3,4-dihydropyrazol-5-yl]benzenesulfonamide?
The InChIKey is QJSHOUHNDHXGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O2S/c1-2-3-9-20-25-21(22(23)26-20)19-14-18(27-28(19)16-7-5-4-6-8-16)15-10-12-17(13-11-15)31(24,29)30/h4-8,10-13,19H,2-3,9,14H2,1H3,(H,25,26)(H2,24,29,30).
What are the key properties of 4-[3-(2-butyl-4-chloro-1H-imidazol-5-yl)-2-phenyl-3,4-dihydropyrazol-5-yl]benzenesulfonamide?
4-[3-(2-butyl-4-chloro-1H-imidazol-5-yl)-2-phenyl-3,4-dihydropyrazol-5-yl]benzenesulfonamide has a molecular weight of 457.99 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-butyl-4-chloro-1H-imidazol-5-yl)-2-phenyl-3,4-dihydropyrazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 155811142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).