N-(4-chloro-2-fluorophenyl)-3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]propanamide

C19H20Cl2FN3O3S — CID 24589202

IUPACN-(4-chloro-2-fluorophenyl)-3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]propanamide
SMILESO=C(CCN1CCN(S(=O)(=O)c2ccccc2Cl)CC1)Nc1ccc(Cl)cc1F
InChIInChI=1S/C19H20Cl2FN3O3S/c20-14-5-6-17(16(22)13-14)23-19(26)7-8-24-9-11-25(12-10-24)29(27,28)18-4-2-1-3-15(18)21/h1-6,13H,7-12H2,(H,23,26)
InChIKeyUZERZMMCTZFGKH-UHFFFAOYSA-N
MW460.36 g/mol
LogP3.47
Rot. Bonds6

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

N-(4-chloro-2-fluorophenyl)-3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]propanamide (PubChem CID 24589202) has the molecular formula C19H20Cl2FN3O3S and a molecular weight of 460.36 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]propanamide
PubChem CID24589202
Molecular FormulaC19H20Cl2FN3O3S
Molecular Weight460.36 g/mol
Exact Mass459.06
IUPAC NameN-(4-chloro-2-fluorophenyl)-3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]propanamide
SMILESO=C(CCN1CCN(S(=O)(=O)c2ccccc2Cl)CC1)Nc1ccc(Cl)cc1F
InChIInChI=1S/C19H20Cl2FN3O3S/c20-14-5-6-17(16(22)13-14)23-19(26)7-8-24-9-11-25(12-10-24)29(27,28)18-4-2-1-3-15(18)21/h1-6,13H,7-12H2,(H,23,26)
InChIKeyUZERZMMCTZFGKH-UHFFFAOYSA-N
XLogP3.47
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 24587410
N-(4-chloro-2-fluorophenyl)-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide
CID 18133462
3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-phenylphenyl)propanamide
CID 24588851
N-(4-chloro-2-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 30099925
3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methyl-3-nitrophenyl)propanamide
CID 38752016
N-(4-chloro-2-fluorophenyl)-3-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 30741234
1-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]-N-methylpiperidine-4-carboxamide
CID 24589415
N-(4-bromo-2-fluorophenyl)-3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 24588947
N-(4-chloro-2-fluorophenyl)-3-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 30721853
3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-(4-chloro-2-fluorophenyl)propanamide
CID 120759607
N-(2-fluorophenyl)-3-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]propanamide
CID 31992841
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 9391486

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]propanamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]propanamide (CID 24589202) is N-(4-chloro-2-fluorophenyl)-3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]propanamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]propanamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]propanamide is O=C(CCN1CCN(S(=O)(=O)c2ccccc2Cl)CC1)Nc1ccc(Cl)cc1F.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]propanamide?
The InChIKey is UZERZMMCTZFGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2FN3O3S/c20-14-5-6-17(16(22)13-14)23-19(26)7-8-24-9-11-25(12-10-24)29(27,28)18-4-2-1-3-15(18)21/h1-6,13H,7-12H2,(H,23,26).
What are the key properties of N-(4-chloro-2-fluorophenyl)-3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]propanamide?
N-(4-chloro-2-fluorophenyl)-3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]propanamide has a molecular weight of 460.36 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]propanamide is sourced from PubChem (CID 24589202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).