1-(4-methyl-2-nitrophenyl)sulfonylpiperazin-2-ol;hydrochloride

C11H16ClN3O5S — CID 174467980

IUPAC1-(4-methyl-2-nitrophenyl)sulfonylpiperazin-2-ol;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CCNCC2O)c([N+](=O)[O-])c1.Cl
InChIInChI=1S/C11H15N3O5S.ClH/c1-8-2-3-10(9(6-8)14(16)17)20(18,19)13-5-4-12-7-11(13)15;/h2-3,6,11-12,15H,4-5,7H2,1H3;1H
InChIKeyOVWRIWAQUJNMME-UHFFFAOYSA-N
MW337.79 g/mol
LogP0.24
Rot. Bonds3

About 1-(4-methyl-2-nitrophenyl)sulfonylpiperazin-2-ol;hydrochloride

1-(4-methyl-2-nitrophenyl)sulfonylpiperazin-2-ol;hydrochloride (PubChem CID 174467980) has the molecular formula C11H16ClN3O5S and a molecular weight of 337.79 g/mol. Its IUPAC name is 1-(4-methyl-2-nitrophenyl)sulfonylpiperazin-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(4-methyl-2-nitrophenyl)sulfonylpiperazin-2-ol;hydrochloride
PubChem CID174467980
Molecular FormulaC11H16ClN3O5S
Molecular Weight337.79 g/mol
Exact Mass337.05
IUPAC Name1-(4-methyl-2-nitrophenyl)sulfonylpiperazin-2-ol;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CCNCC2O)c([N+](=O)[O-])c1.Cl
InChIInChI=1S/C11H15N3O5S.ClH/c1-8-2-3-10(9(6-8)14(16)17)20(18,19)13-5-4-12-7-11(13)15;/h2-3,6,11-12,15H,4-5,7H2,1H3;1H
InChIKeyOVWRIWAQUJNMME-UHFFFAOYSA-N
XLogP0.24
TPSA112.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.79
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-chloro-2-nitrophenyl)sulfonylpiperazin-2-ol;hydrochloride
CID 174480906
1-(2-nitrophenyl)sulfonylpiperazin-2-ol
CID 174480928
1-(4-methyl-2-nitrophenyl)sulfonylpiperazin-2-one;hydrochloride
CID 68802288
1-(4-methyl-2-nitrophenyl)sulfonylpiperazin-2-one
CID 22222409
1-(4-methoxy-2-nitrophenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 119969721
1-(4-methyl-2-nitrophenyl)sulfonylazepane
CID 973417
(8aR)-7-(4-methyl-2-nitrophenyl)sulfonyl-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 96533482
(2S)-1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120717060
1-(2,3-dimethyl-5-nitrophenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 119970134
1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperazine
CID 62672958
(2R)-1-(2-methoxy-4-nitrophenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120717030
1-(2-chloro-4-methylphenyl)sulfonylpiperazine-2-carbonitrile
CID 79091756

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-nitrophenyl)sulfonylpiperazin-2-ol;hydrochloride?
The IUPAC name of 1-(4-methyl-2-nitrophenyl)sulfonylpiperazin-2-ol;hydrochloride (CID 174467980) is 1-(4-methyl-2-nitrophenyl)sulfonylpiperazin-2-ol;hydrochloride.
What is the SMILES notation for 1-(4-methyl-2-nitrophenyl)sulfonylpiperazin-2-ol;hydrochloride?
The canonical SMILES for 1-(4-methyl-2-nitrophenyl)sulfonylpiperazin-2-ol;hydrochloride is Cc1ccc(S(=O)(=O)N2CCNCC2O)c([N+](=O)[O-])c1.Cl.
What is the InChIKey of 1-(4-methyl-2-nitrophenyl)sulfonylpiperazin-2-ol;hydrochloride?
The InChIKey is OVWRIWAQUJNMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5S.ClH/c1-8-2-3-10(9(6-8)14(16)17)20(18,19)13-5-4-12-7-11(13)15;/h2-3,6,11-12,15H,4-5,7H2,1H3;1H.
What are the key properties of 1-(4-methyl-2-nitrophenyl)sulfonylpiperazin-2-ol;hydrochloride?
1-(4-methyl-2-nitrophenyl)sulfonylpiperazin-2-ol;hydrochloride has a molecular weight of 337.79 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-nitrophenyl)sulfonylpiperazin-2-ol;hydrochloride is sourced from PubChem (CID 174467980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).