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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Related Compounds

1-[(4-Chloro-3-methoxyphenyl)sulfonyl]-4-(2-fluorophenyl)piperazine
CID 1260301
N-[4-[4-[3-(2-chlorophenoxy)propyl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 2954170
3-{4-[(5-chloro-2-methoxyphenyl)sulfonyl]piperazin-1-yl}-N-(4-ethoxyphenyl)propanamide
CID 3238060
2-[Benzenesulfonyl-(4-methoxy-phenyl)-amino]-N-(3-chloro-2-methyl-phenyl)-acetamide
CID 1134581
1-((4-Chloro-3-methoxyphenyl)sulfonyl)-4-(4-fluorophenyl)piperazine
CID 660922
2-{[(4-chlorophenyl)sulfonyl]amino}-N-(4-methoxyphenyl)acetamide
CID 1006478
2-[Benzenesulfonyl-(3-chloro-4-methoxy-phenyl)-amino]-N-(2-methoxy-phenyl)-acetamide
CID 1105780
2-[Benzenesulfonyl-(3-chloro-4-methoxy-phenyl)-amino]-N-(2,4-dimethoxy-phenyl)-acetamide
CID 1105782
N-(3-Chloro-4-methoxy-phenyl)-N-cyclopentylidenehydrazinocarbonylmethyl-benzenesulfonamide
CID 1105794
2-[Benzenesulfonyl-(3-chloro-4-methoxy-phenyl)-amino]-N-(4-methoxy-phenyl)-acetamide
CID 1108099
2-[Benzenesulfonyl-(3-chloro-4-methoxy-phenyl)-amino]-N-(3,4-dimethoxy-phenyl)-acetamide
CID 1108101
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-chloro-4-methoxyphenyl)methanesulfonamide
CID 1208558

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).