piperazin-1-yl-(2-propan-2-ylsulfonylphenyl)methanone;hydrochloride

C14H21ClN2O3S — CID 119403179

IUPACpiperazin-1-yl-(2-propan-2-ylsulfonylphenyl)methanone;hydrochloride
SMILESCC(C)S(=O)(=O)c1ccccc1C(=O)N1CCNCC1.Cl
InChIInChI=1S/C14H20N2O3S.ClH/c1-11(2)20(18,19)13-6-4-3-5-12(13)14(17)16-9-7-15-8-10-16;/h3-6,11,15H,7-10H2,1-2H3;1H
InChIKeyBQZWIYKMPGTFMV-UHFFFAOYSA-N
MW332.85 g/mol
LogP1.34
Rot. Bonds3

About piperazin-1-yl-(2-propan-2-ylsulfonylphenyl)methanone;hydrochloride

piperazin-1-yl-(2-propan-2-ylsulfonylphenyl)methanone;hydrochloride (PubChem CID 119403179) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is piperazin-1-yl-(2-propan-2-ylsulfonylphenyl)methanone;hydrochloride.

Molecular Properties

Compound Namepiperazin-1-yl-(2-propan-2-ylsulfonylphenyl)methanone;hydrochloride
PubChem CID119403179
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Namepiperazin-1-yl-(2-propan-2-ylsulfonylphenyl)methanone;hydrochloride
SMILESCC(C)S(=O)(=O)c1ccccc1C(=O)N1CCNCC1.Cl
InChIInChI=1S/C14H20N2O3S.ClH/c1-11(2)20(18,19)13-6-4-3-5-12(13)14(17)16-9-7-15-8-10-16;/h3-6,11,15H,7-10H2,1-2H3;1H
InChIKeyBQZWIYKMPGTFMV-UHFFFAOYSA-N
XLogP1.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 119400127
piperazin-1-yl-(2-propan-2-ylphenyl)methanone
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(2-morpholin-4-ylsulfonylphenyl)-piperazin-1-ylmethanone;hydrochloride
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CID 55778718
(3R)-1-(2-propan-2-ylsulfonylbenzoyl)piperidine-3-carboxylic acid
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[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-(2-propan-2-ylsulfonylphenyl)methanone
CID 34742958
1,4-diazepan-1-yl-(2-morpholin-4-ylsulfonylphenyl)methanone
CID 119417300
2-(piperazine-1-carbonyl)benzoyl chloride
CID 82511837
phenyl-[2-(piperazine-1-carbonyl)phenyl]methanone;hydrochloride
CID 138999143
(2-chlorophenyl)-(1,4-diazepan-1-yl)methanone
CID 16777333
[2-(hydroxymethyl)phenyl]-piperazin-1-ylmethanone
CID 82509255
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Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl-(2-propan-2-ylsulfonylphenyl)methanone;hydrochloride?
The IUPAC name of piperazin-1-yl-(2-propan-2-ylsulfonylphenyl)methanone;hydrochloride (CID 119403179) is piperazin-1-yl-(2-propan-2-ylsulfonylphenyl)methanone;hydrochloride.
What is the SMILES notation for piperazin-1-yl-(2-propan-2-ylsulfonylphenyl)methanone;hydrochloride?
The canonical SMILES for piperazin-1-yl-(2-propan-2-ylsulfonylphenyl)methanone;hydrochloride is CC(C)S(=O)(=O)c1ccccc1C(=O)N1CCNCC1.Cl.
What is the InChIKey of piperazin-1-yl-(2-propan-2-ylsulfonylphenyl)methanone;hydrochloride?
The InChIKey is BQZWIYKMPGTFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S.ClH/c1-11(2)20(18,19)13-6-4-3-5-12(13)14(17)16-9-7-15-8-10-16;/h3-6,11,15H,7-10H2,1-2H3;1H.
What are the key properties of piperazin-1-yl-(2-propan-2-ylsulfonylphenyl)methanone;hydrochloride?
piperazin-1-yl-(2-propan-2-ylsulfonylphenyl)methanone;hydrochloride has a molecular weight of 332.85 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl-(2-propan-2-ylsulfonylphenyl)methanone;hydrochloride is sourced from PubChem (CID 119403179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).