4-[4-(3-methylpiperazin-1-yl)sulfonylphenyl]sulfonylmorpholine;hydrochloride

C15H24ClN3O5S2 — CID 119981794

IUPAC4-[4-(3-methylpiperazin-1-yl)sulfonylphenyl]sulfonylmorpholine;hydrochloride
SMILESCC1CN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CCN1.Cl
InChIInChI=1S/C15H23N3O5S2.ClH/c1-13-12-18(7-6-16-13)25(21,22)15-4-2-14(3-5-15)24(19,20)17-8-10-23-11-9-17;/h2-5,13,16H,6-12H2,1H3;1H
InChIKeyQMAFQZJBZUNVIM-UHFFFAOYSA-N
MW425.96 g/mol
LogP0.11
Rot. Bonds4

About 4-[4-(3-methylpiperazin-1-yl)sulfonylphenyl]sulfonylmorpholine;hydrochloride

4-[4-(3-methylpiperazin-1-yl)sulfonylphenyl]sulfonylmorpholine;hydrochloride (PubChem CID 119981794) has the molecular formula C15H24ClN3O5S2 and a molecular weight of 425.96 g/mol. Its IUPAC name is 4-[4-(3-methylpiperazin-1-yl)sulfonylphenyl]sulfonylmorpholine;hydrochloride.

Molecular Properties

Compound Name4-[4-(3-methylpiperazin-1-yl)sulfonylphenyl]sulfonylmorpholine;hydrochloride
PubChem CID119981794
Molecular FormulaC15H24ClN3O5S2
Molecular Weight425.96 g/mol
Exact Mass425.08
IUPAC Name4-[4-(3-methylpiperazin-1-yl)sulfonylphenyl]sulfonylmorpholine;hydrochloride
SMILESCC1CN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CCN1.Cl
InChIInChI=1S/C15H23N3O5S2.ClH/c1-13-12-18(7-6-16-13)25(21,22)15-4-2-14(3-5-15)24(19,20)17-8-10-23-11-9-17;/h2-5,13,16H,6-12H2,1H3;1H
InChIKeyQMAFQZJBZUNVIM-UHFFFAOYSA-N
XLogP0.11
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.96
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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4-(3-methylpiperazin-1-yl)sulfonylbenzonitrile
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(3R)-3-methyl-1-(1H-pyrrol-3-ylsulfonyl)piperazine
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1-(3-chloro-4-fluorophenyl)sulfonyl-3-methylpiperazine
CID 65448434
N,N-dimethyl-4-(3-methylpiperazin-1-yl)sulfonylbenzamide
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CID 11098087

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-methylpiperazin-1-yl)sulfonylphenyl]sulfonylmorpholine;hydrochloride?
The IUPAC name of 4-[4-(3-methylpiperazin-1-yl)sulfonylphenyl]sulfonylmorpholine;hydrochloride (CID 119981794) is 4-[4-(3-methylpiperazin-1-yl)sulfonylphenyl]sulfonylmorpholine;hydrochloride.
What is the SMILES notation for 4-[4-(3-methylpiperazin-1-yl)sulfonylphenyl]sulfonylmorpholine;hydrochloride?
The canonical SMILES for 4-[4-(3-methylpiperazin-1-yl)sulfonylphenyl]sulfonylmorpholine;hydrochloride is CC1CN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CCN1.Cl.
What is the InChIKey of 4-[4-(3-methylpiperazin-1-yl)sulfonylphenyl]sulfonylmorpholine;hydrochloride?
The InChIKey is QMAFQZJBZUNVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O5S2.ClH/c1-13-12-18(7-6-16-13)25(21,22)15-4-2-14(3-5-15)24(19,20)17-8-10-23-11-9-17;/h2-5,13,16H,6-12H2,1H3;1H.
What are the key properties of 4-[4-(3-methylpiperazin-1-yl)sulfonylphenyl]sulfonylmorpholine;hydrochloride?
4-[4-(3-methylpiperazin-1-yl)sulfonylphenyl]sulfonylmorpholine;hydrochloride has a molecular weight of 425.96 g/mol, XLogP of 0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-methylpiperazin-1-yl)sulfonylphenyl]sulfonylmorpholine;hydrochloride is sourced from PubChem (CID 119981794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).