3-chloro-N-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]benzamide

C26H26Cl2FN3O3S — CID 42725148

IUPAC3-chloro-N-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]benzamide
SMILESO=C(c1cccc(Cl)c1)N(CCN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Cc1ccc(F)cc1
InChIInChI=1S/C26H26Cl2FN3O3S/c27-22-6-10-25(11-7-22)36(34,35)32-16-13-30(14-17-32)12-15-31(19-20-4-8-24(29)9-5-20)26(33)21-2-1-3-23(28)18-21/h1-11,18H,12-17,19H2
InChIKeyFCFVUIBWWCYFQP-UHFFFAOYSA-N
MW550.48 g/mol
LogP4.78
Rot. Bonds8

About 3-chloro-N-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]benzamide

3-chloro-N-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]benzamide (PubChem CID 42725148) has the molecular formula C26H26Cl2FN3O3S and a molecular weight of 550.48 g/mol. Its IUPAC name is 3-chloro-N-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]benzamide
PubChem CID42725148
Molecular FormulaC26H26Cl2FN3O3S
Molecular Weight550.48 g/mol
Exact Mass549.11
IUPAC Name3-chloro-N-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]benzamide
SMILESO=C(c1cccc(Cl)c1)N(CCN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Cc1ccc(F)cc1
InChIInChI=1S/C26H26Cl2FN3O3S/c27-22-6-10-25(11-7-22)36(34,35)32-16-13-30(14-17-32)12-15-31(19-20-4-8-24(29)9-5-20)26(33)21-2-1-3-23(28)18-21/h1-11,18H,12-17,19H2
InChIKeyFCFVUIBWWCYFQP-UHFFFAOYSA-N
XLogP4.78
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.48
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-[3,5-bis(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]-3-chloro-N-[(4-fluorophenyl)methyl]benzamide
CID 42725141
4-[2-[(3-chlorobenzoyl)-[(4-fluorophenyl)methyl]amino]ethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 42710305
1-[2-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperazine
CID 113074605
N-[2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-4-methylbenzamide
CID 42709697
4-[2-[(3-chlorobenzoyl)-[(4-fluorophenyl)methyl]amino]ethyl]-N-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 42710306
2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 27185871
N,N-dibenzyl-3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide
CID 43918944
N-[(3-chlorophenyl)methyl]-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 26428931
N-(4-chlorophenyl)-4-[2-[(3-chlorophenyl)carbamoyl-[(4-fluorophenyl)methyl]amino]ethyl]piperazine-1-carboxamide
CID 42709979
N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-4-fluoro-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide
CID 42723991
1-(3-chlorophenyl)-4-(4-fluorophenyl)sulfonylpiperazine
CID 1068546
N-[2-(dimethylamino)ethyl]-3-(3,3-dimethylpiperidin-1-yl)sulfonyl-N-[(4-fluorophenyl)methyl]benzamide
CID 54209162

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]benzamide?
The IUPAC name of 3-chloro-N-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]benzamide (CID 42725148) is 3-chloro-N-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]benzamide is O=C(c1cccc(Cl)c1)N(CCN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Cc1ccc(F)cc1.
What is the InChIKey of 3-chloro-N-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]benzamide?
The InChIKey is FCFVUIBWWCYFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl2FN3O3S/c27-22-6-10-25(11-7-22)36(34,35)32-16-13-30(14-17-32)12-15-31(19-20-4-8-24(29)9-5-20)26(33)21-2-1-3-23(28)18-21/h1-11,18H,12-17,19H2.
What are the key properties of 3-chloro-N-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]benzamide?
3-chloro-N-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]benzamide has a molecular weight of 550.48 g/mol, XLogP of 4.78, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 42725148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).