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

C19H21ClFN3O4S — CID 4797029

IUPACN-(5-chloro-2-methoxyphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H21ClFN3O4S/c1-28-18-7-2-14(20)12-17(18)22-19(25)13-23-8-10-24(11-9-23)29(26,27)16-5-3-15(21)4-6-16/h2-7,12H,8-11,13H2,1H3,(H,22,25)
InChIKeyUKGLZEBOIXJYGO-UHFFFAOYSA-N
MW441.91 g/mol
LogP2.43
Rot. Bonds6

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

N-(5-chloro-2-methoxyphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 4797029) has the molecular formula C19H21ClFN3O4S and a molecular weight of 441.91 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
PubChem CID4797029
Molecular FormulaC19H21ClFN3O4S
Molecular Weight441.91 g/mol
Exact Mass441.09
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H21ClFN3O4S/c1-28-18-7-2-14(20)12-17(18)22-19(25)13-23-8-10-24(11-9-23)29(26,27)16-5-3-15(21)4-6-16/h2-7,12H,8-11,13H2,1H3,(H,22,25)
InChIKeyUKGLZEBOIXJYGO-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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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide (CID 4797029) is N-(5-chloro-2-methoxyphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide is COc1ccc(Cl)cc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is UKGLZEBOIXJYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O4S/c1-28-18-7-2-14(20)12-17(18)22-19(25)13-23-8-10-24(11-9-23)29(26,27)16-5-3-15(21)4-6-16/h2-7,12H,8-11,13H2,1H3,(H,22,25).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide?
N-(5-chloro-2-methoxyphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]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 N-(5-chloro-2-methoxyphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 4797029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).