N-[4-(4-benzylpiperazin-1-yl)sulfonyl-2-fluorophenyl]-4-chlorobenzamide

C24H23ClFN3O3S — CID 18892684

IUPACN-[4-(4-benzylpiperazin-1-yl)sulfonyl-2-fluorophenyl]-4-chlorobenzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1F)c1ccc(Cl)cc1
InChIInChI=1S/C24H23ClFN3O3S/c25-20-8-6-19(7-9-20)24(30)27-23-11-10-21(16-22(23)26)33(31,32)29-14-12-28(13-15-29)17-18-4-2-1-3-5-18/h1-11,16H,12-15,17H2,(H,27,30)
InChIKeyIXCCUGGECVDKRV-UHFFFAOYSA-N
MW487.98 g/mol
LogP4.24
Rot. Bonds6

About N-[4-(4-benzylpiperazin-1-yl)sulfonyl-2-fluorophenyl]-4-chlorobenzamide

N-[4-(4-benzylpiperazin-1-yl)sulfonyl-2-fluorophenyl]-4-chlorobenzamide (PubChem CID 18892684) has the molecular formula C24H23ClFN3O3S and a molecular weight of 487.98 g/mol. Its IUPAC name is N-[4-(4-benzylpiperazin-1-yl)sulfonyl-2-fluorophenyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[4-(4-benzylpiperazin-1-yl)sulfonyl-2-fluorophenyl]-4-chlorobenzamide
PubChem CID18892684
Molecular FormulaC24H23ClFN3O3S
Molecular Weight487.98 g/mol
Exact Mass487.11
IUPAC NameN-[4-(4-benzylpiperazin-1-yl)sulfonyl-2-fluorophenyl]-4-chlorobenzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1F)c1ccc(Cl)cc1
InChIInChI=1S/C24H23ClFN3O3S/c25-20-8-6-19(7-9-20)24(30)27-23-11-10-21(16-22(23)26)33(31,32)29-14-12-28(13-15-29)17-18-4-2-1-3-5-18/h1-11,16H,12-15,17H2,(H,27,30)
InChIKeyIXCCUGGECVDKRV-UHFFFAOYSA-N
XLogP4.24
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.98
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(2,4-difluorophenyl)benzamide
CID 43923148
4-chloro-N-[2-fluoro-4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]benzamide
CID 18892691
N-[4-(4-benzylpiperazin-1-yl)sulfonyl-2-chlorophenyl]acetamide
CID 78842967
4-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-N-phenylbenzamide
CID 71902996
4-fluoro-N-(2-fluoro-4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 18893490
4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(2-fluorophenyl)benzamide
CID 43921389
4-(4-ethylpiperazin-1-yl)sulfonyl-N-(2-fluorophenyl)benzamide
CID 109060427
N-(2-acetylphenyl)-3-(4-benzylpiperazin-1-yl)sulfonylbenzamide
CID 42993180
N-(3,4-difluorophenyl)-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide
CID 38095674
4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(4-bromo-3-chlorophenyl)benzamide
CID 43924894
N-(4-chloro-2-methylphenyl)-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43921580
4-(4-benzylpiperazin-1-yl)sulfonyl-N-prop-2-enylbenzamide
CID 109058451

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzylpiperazin-1-yl)sulfonyl-2-fluorophenyl]-4-chlorobenzamide?
The IUPAC name of N-[4-(4-benzylpiperazin-1-yl)sulfonyl-2-fluorophenyl]-4-chlorobenzamide (CID 18892684) is N-[4-(4-benzylpiperazin-1-yl)sulfonyl-2-fluorophenyl]-4-chlorobenzamide.
What is the SMILES notation for N-[4-(4-benzylpiperazin-1-yl)sulfonyl-2-fluorophenyl]-4-chlorobenzamide?
The canonical SMILES for N-[4-(4-benzylpiperazin-1-yl)sulfonyl-2-fluorophenyl]-4-chlorobenzamide is O=C(Nc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1F)c1ccc(Cl)cc1.
What is the InChIKey of N-[4-(4-benzylpiperazin-1-yl)sulfonyl-2-fluorophenyl]-4-chlorobenzamide?
The InChIKey is IXCCUGGECVDKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN3O3S/c25-20-8-6-19(7-9-20)24(30)27-23-11-10-21(16-22(23)26)33(31,32)29-14-12-28(13-15-29)17-18-4-2-1-3-5-18/h1-11,16H,12-15,17H2,(H,27,30).
What are the key properties of N-[4-(4-benzylpiperazin-1-yl)sulfonyl-2-fluorophenyl]-4-chlorobenzamide?
N-[4-(4-benzylpiperazin-1-yl)sulfonyl-2-fluorophenyl]-4-chlorobenzamide has a molecular weight of 487.98 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzylpiperazin-1-yl)sulfonyl-2-fluorophenyl]-4-chlorobenzamide is sourced from PubChem (CID 18892684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).