4-fluoro-N-(3-fluoro-4-methylphenyl)-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide

C24H23F2N3O3S — CID 4089871

IUPAC4-fluoro-N-(3-fluoro-4-methylphenyl)-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide
SMILESCc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCN(c4ccccc4)CC3)c2)cc1F
InChIInChI=1S/C24H23F2N3O3S/c1-17-7-9-19(16-22(17)26)27-24(30)18-8-10-21(25)23(15-18)33(31,32)29-13-11-28(12-14-29)20-5-3-2-4-6-20/h2-10,15-16H,11-14H2,1H3,(H,27,30)
InChIKeyAEQYWQHNOKIRHU-UHFFFAOYSA-N
MW471.53 g/mol
LogP4.04
Rot. Bonds5

About 4-fluoro-N-(3-fluoro-4-methylphenyl)-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide

4-fluoro-N-(3-fluoro-4-methylphenyl)-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide (PubChem CID 4089871) has the molecular formula C24H23F2N3O3S and a molecular weight of 471.53 g/mol. Its IUPAC name is 4-fluoro-N-(3-fluoro-4-methylphenyl)-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-(3-fluoro-4-methylphenyl)-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide
PubChem CID4089871
Molecular FormulaC24H23F2N3O3S
Molecular Weight471.53 g/mol
Exact Mass471.14
IUPAC Name4-fluoro-N-(3-fluoro-4-methylphenyl)-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide
SMILESCc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCN(c4ccccc4)CC3)c2)cc1F
InChIInChI=1S/C24H23F2N3O3S/c1-17-7-9-19(16-22(17)26)27-24(30)18-8-10-21(25)23(15-18)33(31,32)29-13-11-28(12-14-29)20-5-3-2-4-6-20/h2-10,15-16H,11-14H2,1H3,(H,27,30)
InChIKeyAEQYWQHNOKIRHU-UHFFFAOYSA-N
XLogP4.04
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.53
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-(3-fluoro-4-methylphenyl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 4089870
N-(3,4-dimethylphenyl)-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxamide
CID 53076832
4-fluoro-3-(4-methylpiperidin-1-yl)sulfonyl-N-phenylbenzamide
CID 27241778
4-fluoro-3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-N-(4-propan-2-ylphenyl)benzamide
CID 4055666
3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-4-fluoro-N-(2-methylphenyl)benzamide
CID 3275797
4-fluoro-3-morpholin-4-ylsulfonyl-N-naphthalen-2-ylbenzamide
CID 3900214
N-(3-chloro-4-fluorophenyl)-4-methyl-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99968694
4-fluoro-N-(3-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 3248945
N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide
CID 37023704
4-fluoro-N-(4-phenoxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 92647831
3-(4-ethylpiperazin-1-yl)sulfonyl-4-fluoro-N-(4-phenoxyphenyl)benzamide;hydrochloride
CID 126479373
N-(3,4-difluorophenyl)-4-fluoro-3-(4-hydroxy-5-methylazepan-1-yl)sulfonylbenzamide
CID 118230125

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-fluoro-4-methylphenyl)-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide?
The IUPAC name of 4-fluoro-N-(3-fluoro-4-methylphenyl)-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide (CID 4089871) is 4-fluoro-N-(3-fluoro-4-methylphenyl)-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide.
What is the SMILES notation for 4-fluoro-N-(3-fluoro-4-methylphenyl)-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide?
The canonical SMILES for 4-fluoro-N-(3-fluoro-4-methylphenyl)-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide is Cc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCN(c4ccccc4)CC3)c2)cc1F.
What is the InChIKey of 4-fluoro-N-(3-fluoro-4-methylphenyl)-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide?
The InChIKey is AEQYWQHNOKIRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N3O3S/c1-17-7-9-19(16-22(17)26)27-24(30)18-8-10-21(25)23(15-18)33(31,32)29-13-11-28(12-14-29)20-5-3-2-4-6-20/h2-10,15-16H,11-14H2,1H3,(H,27,30).
What are the key properties of 4-fluoro-N-(3-fluoro-4-methylphenyl)-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide?
4-fluoro-N-(3-fluoro-4-methylphenyl)-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide has a molecular weight of 471.53 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-fluoro-4-methylphenyl)-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 4089871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).