N-methyl-2-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]benzenesulfonamide

C23H25N3O3S — CID 75369355

IUPACN-methyl-2-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1N1CCN(C(=O)Cc2ccc3ccccc3c2)CC1
InChIInChI=1S/C23H25N3O3S/c1-24-30(28,29)22-9-5-4-8-21(22)25-12-14-26(15-13-25)23(27)17-18-10-11-19-6-2-3-7-20(19)16-18/h2-11,16,24H,12-15,17H2,1H3
InChIKeyWJEPAQNRGCVYQV-UHFFFAOYSA-N
MW423.54 g/mol
LogP2.64
Rot. Bonds5

About N-methyl-2-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]benzenesulfonamide

N-methyl-2-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]benzenesulfonamide (PubChem CID 75369355) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-methyl-2-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-2-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]benzenesulfonamide
PubChem CID75369355
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC NameN-methyl-2-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1N1CCN(C(=O)Cc2ccc3ccccc3c2)CC1
InChIInChI=1S/C23H25N3O3S/c1-24-30(28,29)22-9-5-4-8-21(22)25-12-14-26(15-13-25)23(27)17-18-10-11-19-6-2-3-7-20(19)16-18/h2-11,16,24H,12-15,17H2,1H3
InChIKeyWJEPAQNRGCVYQV-UHFFFAOYSA-N
XLogP2.64
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-naphthalen-2-ylethanone
CID 51161828
tert-butyl 4-(2-naphthalen-2-ylacetyl)piperazine-1-carboxylate
CID 140993282
1-(4-acetyl-1,4-diazepan-1-yl)-2-naphthalen-2-ylethanone
CID 134061666
N-methyl-2-(4-prop-2-enoylpiperazin-1-yl)benzenesulfonamide
CID 166406112
N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]naphthalene-2-sulfonamide
CID 9151786
1-[4-(methylaminomethyl)piperidin-1-yl]-2-naphthalen-2-ylethanone;hydrochloride
CID 119542656
3-(4-methoxyphenyl)-1-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]propan-1-one
CID 48873820
1-(2-naphthalen-2-ylacetyl)pyrrolidine-3-sulfonamide
CID 154738536
2-(3-hydroxy-4-methylphenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone
CID 146087246
2-[4-(2-amino-2-methylpropyl)piperazin-1-yl]-N-methylbenzenesulfonamide
CID 120848242
2-(4-methoxyphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 8910906
2-[4-(azetidin-3-yl)piperazin-1-yl]-N-methylbenzenesulfonamide
CID 66201049

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]benzenesulfonamide?
The IUPAC name of N-methyl-2-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]benzenesulfonamide (CID 75369355) is N-methyl-2-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]benzenesulfonamide.
What is the SMILES notation for N-methyl-2-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]benzenesulfonamide?
The canonical SMILES for N-methyl-2-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]benzenesulfonamide is CNS(=O)(=O)c1ccccc1N1CCN(C(=O)Cc2ccc3ccccc3c2)CC1.
What is the InChIKey of N-methyl-2-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]benzenesulfonamide?
The InChIKey is WJEPAQNRGCVYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-24-30(28,29)22-9-5-4-8-21(22)25-12-14-26(15-13-25)23(27)17-18-10-11-19-6-2-3-7-20(19)16-18/h2-11,16,24H,12-15,17H2,1H3.
What are the key properties of N-methyl-2-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]benzenesulfonamide?
N-methyl-2-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]benzenesulfonamide has a molecular weight of 423.54 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]benzenesulfonamide is sourced from PubChem (CID 75369355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).