2-[(2-chloro-5-piperazin-1-ylsulfonylphenyl)methoxy]-N-methoxy-N-methylacetamide

C15H22ClN3O5S — CID 86610183

IUPAC2-[(2-chloro-5-piperazin-1-ylsulfonylphenyl)methoxy]-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)COCc1cc(S(=O)(=O)N2CCNCC2)ccc1Cl
InChIInChI=1S/C15H22ClN3O5S/c1-18(23-2)15(20)11-24-10-12-9-13(3-4-14(12)16)25(21,22)19-7-5-17-6-8-19/h3-4,9,17H,5-8,10-11H2,1-2H3
InChIKeyHQBHZGGFNHECHP-UHFFFAOYSA-N
MW391.88 g/mol
LogP0.47
Rot. Bonds7

About 2-[(2-chloro-5-piperazin-1-ylsulfonylphenyl)methoxy]-N-methoxy-N-methylacetamide

2-[(2-chloro-5-piperazin-1-ylsulfonylphenyl)methoxy]-N-methoxy-N-methylacetamide (PubChem CID 86610183) has the molecular formula C15H22ClN3O5S and a molecular weight of 391.88 g/mol. Its IUPAC name is 2-[(2-chloro-5-piperazin-1-ylsulfonylphenyl)methoxy]-N-methoxy-N-methylacetamide.

Molecular Properties

Compound Name2-[(2-chloro-5-piperazin-1-ylsulfonylphenyl)methoxy]-N-methoxy-N-methylacetamide
PubChem CID86610183
Molecular FormulaC15H22ClN3O5S
Molecular Weight391.88 g/mol
Exact Mass391.10
IUPAC Name2-[(2-chloro-5-piperazin-1-ylsulfonylphenyl)methoxy]-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)COCc1cc(S(=O)(=O)N2CCNCC2)ccc1Cl
InChIInChI=1S/C15H22ClN3O5S/c1-18(23-2)15(20)11-24-10-12-9-13(3-4-14(12)16)25(21,22)19-7-5-17-6-8-19/h3-4,9,17H,5-8,10-11H2,1-2H3
InChIKeyHQBHZGGFNHECHP-UHFFFAOYSA-N
XLogP0.47
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.88
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]acetate;2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]acetic acid
CID 159880687
2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-1-pyridin-4-ylethanone
CID 11774197
2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-1-(5-methyl-2-pyridinyl)ethanone
CID 11223980
tert-butyl 2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methyl-methylamino]acetate
CID 11200881
methyl 3-piperazin-1-ylsulfonylbenzoate
CID 39384372
1-(3-bromo-4-ethoxyphenyl)sulfonylpiperazine
CID 119961758
1-(4-piperazin-1-ylsulfonylphenyl)ethanone
CID 2125328
N,N-dimethyl-3-piperazin-1-ylsulfonylbenzenesulfonamide
CID 119961539
2-methyl-1-(4-piperazin-1-ylsulfonylphenyl)propan-1-one
CID 82164843
1-(3,4-diethoxyphenyl)sulfonyl-1,4-diazepane
CID 119963333
1-(4-chlorophenyl)sulfonyl-N-methoxy-N-methylpiperidine-4-carboxamide
CID 27740023
1-[3-chloro-4-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 2452153

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-piperazin-1-ylsulfonylphenyl)methoxy]-N-methoxy-N-methylacetamide?
The IUPAC name of 2-[(2-chloro-5-piperazin-1-ylsulfonylphenyl)methoxy]-N-methoxy-N-methylacetamide (CID 86610183) is 2-[(2-chloro-5-piperazin-1-ylsulfonylphenyl)methoxy]-N-methoxy-N-methylacetamide.
What is the SMILES notation for 2-[(2-chloro-5-piperazin-1-ylsulfonylphenyl)methoxy]-N-methoxy-N-methylacetamide?
The canonical SMILES for 2-[(2-chloro-5-piperazin-1-ylsulfonylphenyl)methoxy]-N-methoxy-N-methylacetamide is CON(C)C(=O)COCc1cc(S(=O)(=O)N2CCNCC2)ccc1Cl.
What is the InChIKey of 2-[(2-chloro-5-piperazin-1-ylsulfonylphenyl)methoxy]-N-methoxy-N-methylacetamide?
The InChIKey is HQBHZGGFNHECHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O5S/c1-18(23-2)15(20)11-24-10-12-9-13(3-4-14(12)16)25(21,22)19-7-5-17-6-8-19/h3-4,9,17H,5-8,10-11H2,1-2H3.
What are the key properties of 2-[(2-chloro-5-piperazin-1-ylsulfonylphenyl)methoxy]-N-methoxy-N-methylacetamide?
2-[(2-chloro-5-piperazin-1-ylsulfonylphenyl)methoxy]-N-methoxy-N-methylacetamide has a molecular weight of 391.88 g/mol, XLogP of 0.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-piperazin-1-ylsulfonylphenyl)methoxy]-N-methoxy-N-methylacetamide is sourced from PubChem (CID 86610183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).