N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide

C23H24ClN3O3S — CID 41349937

IUPACN-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide
SMILESO=C(NCCS(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1)c1cccc2ccccc12
InChIInChI=1S/C23H24ClN3O3S/c24-19-8-10-20(11-9-19)26-13-15-27(16-14-26)31(29,30)17-12-25-23(28)22-7-3-5-18-4-1-2-6-21(18)22/h1-11H,12-17H2,(H,25,28)
InChIKeyRFVNERIAXAIFSX-UHFFFAOYSA-N
MW457.98 g/mol
LogP3.38
Rot. Bonds6

About N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide

N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide (PubChem CID 41349937) has the molecular formula C23H24ClN3O3S and a molecular weight of 457.98 g/mol. Its IUPAC name is N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide
PubChem CID41349937
Molecular FormulaC23H24ClN3O3S
Molecular Weight457.98 g/mol
Exact Mass457.12
IUPAC NameN-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide
SMILESO=C(NCCS(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1)c1cccc2ccccc12
InChIInChI=1S/C23H24ClN3O3S/c24-19-8-10-20(11-9-19)26-13-15-27(16-14-26)31(29,30)17-12-25-23(28)22-7-3-5-18-4-1-2-6-21(18)22/h1-11H,12-17H2,(H,25,28)
InChIKeyRFVNERIAXAIFSX-UHFFFAOYSA-N
XLogP3.38
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.98
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 41349918
4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 41349917
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]-4-phenylbenzamide
CID 41349940
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide
CID 22578896
2-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 41349884
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]butanamide
CID 41349861
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]propanamide
CID 41349860
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide
CID 16820026
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]cyclopentanecarboxamide
CID 41349872
2-ethoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 16812488
N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-naphthalen-1-ylacetamide
CID 41349801
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-nitrobenzamide
CID 16825838

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide?
The IUPAC name of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide (CID 41349937) is N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide is O=C(NCCS(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1)c1cccc2ccccc12.
What is the InChIKey of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide?
The InChIKey is RFVNERIAXAIFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3S/c24-19-8-10-20(11-9-19)26-13-15-27(16-14-26)31(29,30)17-12-25-23(28)22-7-3-5-18-4-1-2-6-21(18)22/h1-11H,12-17H2,(H,25,28).
What are the key properties of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide?
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide has a molecular weight of 457.98 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 41349937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).