2-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide

C19H21ClFN3O4S — CID 5093122

IUPAC2-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCN(CC(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C19H21ClFN3O4S/c1-28-17-6-5-14(20)11-18(17)29(26,27)24-9-7-23(8-10-24)13-19(25)22-16-4-2-3-15(21)12-16/h2-6,11-12H,7-10,13H2,1H3,(H,22,25)
InChIKeyYXVHHEQUEQTQKA-UHFFFAOYSA-N
MW441.91 g/mol
LogP2.43
Rot. Bonds6

About 2-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide

2-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide (PubChem CID 5093122) has the molecular formula C19H21ClFN3O4S and a molecular weight of 441.91 g/mol. Its IUPAC name is 2-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide
PubChem CID5093122
Molecular FormulaC19H21ClFN3O4S
Molecular Weight441.91 g/mol
Exact Mass441.09
IUPAC Name2-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCN(CC(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C19H21ClFN3O4S/c1-28-17-6-5-14(20)11-18(17)29(26,27)24-9-7-23(8-10-24)13-19(25)22-16-4-2-3-15(21)12-16/h2-6,11-12H,7-10,13H2,1H3,(H,22,25)
InChIKeyYXVHHEQUEQTQKA-UHFFFAOYSA-N
XLogP2.43
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.91
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluorophenyl)-2-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8800587
2-[4-(5-chloro-2-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-N-(2,6-diethylphenyl)acetamide
CID 3853860
2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 29351809
2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 8730879
N-(5-acetamido-2-methoxyphenyl)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 46374953
N-(3-fluorophenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 4824691
2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 29351787
2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 20970601
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-(3-methylsulfonylphenyl)acetamide
CID 26630779
2-[4-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide
CID 60512937
3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(4-methoxyphenyl)propanamide
CID 3236122
2-[4-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide
CID 60513249

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide (CID 5093122) is 2-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide is COc1ccc(Cl)cc1S(=O)(=O)N1CCN(CC(=O)Nc2cccc(F)c2)CC1.
What is the InChIKey of 2-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide?
The InChIKey is YXVHHEQUEQTQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O4S/c1-28-17-6-5-14(20)11-18(17)29(26,27)24-9-7-23(8-10-24)13-19(25)22-16-4-2-3-15(21)12-16/h2-6,11-12H,7-10,13H2,1H3,(H,22,25).
What are the key properties of 2-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide?
2-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide has a molecular weight of 441.91 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 5093122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).