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

C19H21Cl2N3O4S — CID 2264774

IUPACN-(3-chloro-4-methoxyphenyl)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1Cl
InChIInChI=1S/C19H21Cl2N3O4S/c1-28-18-7-4-15(12-17(18)21)22-19(25)13-23-8-10-24(11-9-23)29(26,27)16-5-2-14(20)3-6-16/h2-7,12H,8-11,13H2,1H3,(H,22,25)
InChIKeyKBXATQMIVDZPHN-UHFFFAOYSA-N
MW458.37 g/mol
LogP2.95
Rot. Bonds6

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

N-(3-chloro-4-methoxyphenyl)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 2264774) has the molecular formula C19H21Cl2N3O4S and a molecular weight of 458.37 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]acetamide
PubChem CID2264774
Molecular FormulaC19H21Cl2N3O4S
Molecular Weight458.37 g/mol
Exact Mass457.06
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1Cl
InChIInChI=1S/C19H21Cl2N3O4S/c1-28-18-7-4-15(12-17(18)21)22-19(25)13-23-8-10-24(11-9-23)29(26,27)16-5-2-14(20)3-6-16/h2-7,12H,8-11,13H2,1H3,(H,22,25)
InChIKeyKBXATQMIVDZPHN-UHFFFAOYSA-N
XLogP2.95
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]acetamide (CID 2264774) is N-(3-chloro-4-methoxyphenyl)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]acetamide is COc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is KBXATQMIVDZPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O4S/c1-28-18-7-4-15(12-17(18)21)22-19(25)13-23-8-10-24(11-9-23)29(26,27)16-5-2-14(20)3-6-16/h2-7,12H,8-11,13H2,1H3,(H,22,25).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]acetamide?
N-(3-chloro-4-methoxyphenyl)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 458.37 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 2264774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).