2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclohexyl-N-methylacetamide

C19H29ClN3O3S+ — CID 8690599

IUPAC2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclohexyl-N-methylacetamide
SMILESCN(C(=O)C[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1)C1CCCCC1
InChIInChI=1S/C19H28ClN3O3S/c1-21(17-7-3-2-4-8-17)19(24)15-22-10-12-23(13-11-22)27(25,26)18-9-5-6-16(20)14-18/h5-6,9,14,17H,2-4,7-8,10-13,15H2,1H3/p+1
InChIKeyALWSNELPQSSGGC-UHFFFAOYSA-O
MW414.98 g/mol
LogP1.02
Rot. Bonds5

About 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclohexyl-N-methylacetamide

2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclohexyl-N-methylacetamide (PubChem CID 8690599) has the molecular formula C19H29ClN3O3S+ and a molecular weight of 414.98 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclohexyl-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclohexyl-N-methylacetamide
PubChem CID8690599
Molecular FormulaC19H29ClN3O3S+
Molecular Weight414.98 g/mol
Exact Mass414.16
IUPAC Name2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclohexyl-N-methylacetamide
SMILESCN(C(=O)C[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1)C1CCCCC1
InChIInChI=1S/C19H28ClN3O3S/c1-21(17-7-3-2-4-8-17)19(24)15-22-10-12-23(13-11-22)27(25,26)18-9-5-6-16(20)14-18/h5-6,9,14,17H,2-4,7-8,10-13,15H2,1H3/p+1
InChIKeyALWSNELPQSSGGC-UHFFFAOYSA-O
XLogP1.02
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.98
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-cyclohexyl-N-methylacetamide
CID 7417962
2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone
CID 8690565
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclohexyl-N-ethylacetamide
CID 8692999
N-cyclopentyl-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 17465764
(2R)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propan-1-one
CID 8757884
N-cyclooctyl-N-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 60610211
(2R)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclohexyl-N-methylpropanamide
CID 8512111
N-cyclohexyl-N-ethyl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 8687308
1-(3-chlorophenyl)sulfonylpiperidine-4-carboxylic acid
CID 23607548
N-[[(2R)-butan-2-yl]carbamoyl]-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 8757908
1-(4-chlorophenyl)sulfonyl-N-cyclohexyl-N-methylpiperidine-4-carboxamide
CID 27670607
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate
CID 16534227

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclohexyl-N-methylacetamide?
The IUPAC name of 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclohexyl-N-methylacetamide (CID 8690599) is 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclohexyl-N-methylacetamide.
What is the SMILES notation for 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclohexyl-N-methylacetamide?
The canonical SMILES for 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclohexyl-N-methylacetamide is CN(C(=O)C[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1)C1CCCCC1.
What is the InChIKey of 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclohexyl-N-methylacetamide?
The InChIKey is ALWSNELPQSSGGC-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H28ClN3O3S/c1-21(17-7-3-2-4-8-17)19(24)15-22-10-12-23(13-11-22)27(25,26)18-9-5-6-16(20)14-18/h5-6,9,14,17H,2-4,7-8,10-13,15H2,1H3/p+1.
What are the key properties of 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclohexyl-N-methylacetamide?
2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclohexyl-N-methylacetamide has a molecular weight of 414.98 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclohexyl-N-methylacetamide is sourced from PubChem (CID 8690599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).