4,5-dichloro-2-[[1-(2-methoxyethylsulfonyl)piperidin-4-yl]amino]phenol

C14H20Cl2N2O4S — CID 175764569

IUPAC4,5-dichloro-2-[[1-(2-methoxyethylsulfonyl)piperidin-4-yl]amino]phenol
SMILESCOCCS(=O)(=O)N1CCC(Nc2cc(Cl)c(Cl)cc2O)CC1
InChIInChI=1S/C14H20Cl2N2O4S/c1-22-6-7-23(20,21)18-4-2-10(3-5-18)17-13-8-11(15)12(16)9-14(13)19/h8-10,17,19H,2-7H2,1H3
InChIKeyBXOCKFITLRROMW-UHFFFAOYSA-N
MW383.30 g/mol
LogP2.55
Rot. Bonds6

About 4,5-dichloro-2-[[1-(2-methoxyethylsulfonyl)piperidin-4-yl]amino]phenol

4,5-dichloro-2-[[1-(2-methoxyethylsulfonyl)piperidin-4-yl]amino]phenol (PubChem CID 175764569) has the molecular formula C14H20Cl2N2O4S and a molecular weight of 383.30 g/mol. Its IUPAC name is 4,5-dichloro-2-[[1-(2-methoxyethylsulfonyl)piperidin-4-yl]amino]phenol.

Molecular Properties

Compound Name4,5-dichloro-2-[[1-(2-methoxyethylsulfonyl)piperidin-4-yl]amino]phenol
PubChem CID175764569
Molecular FormulaC14H20Cl2N2O4S
Molecular Weight383.30 g/mol
Exact Mass382.05
IUPAC Name4,5-dichloro-2-[[1-(2-methoxyethylsulfonyl)piperidin-4-yl]amino]phenol
SMILESCOCCS(=O)(=O)N1CCC(Nc2cc(Cl)c(Cl)cc2O)CC1
InChIInChI=1S/C14H20Cl2N2O4S/c1-22-6-7-23(20,21)18-4-2-10(3-5-18)17-13-8-11(15)12(16)9-14(13)19/h8-10,17,19H,2-7H2,1H3
InChIKeyBXOCKFITLRROMW-UHFFFAOYSA-N
XLogP2.55
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.30
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-chloro-1-(2-methoxyethylsulfonyl)piperidine
CID 63396714
N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-2-methylpropanamide
CID 75537886
4-chloro-1-ethyl-N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]pyrazole-3-carboxamide
CID 75537864
N-(2,5-dimethylphenyl)-1-(2-methoxyethylsulfonyl)piperidine-4-carboxamide
CID 110335470
N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]furan-2-carboxamide
CID 75537873
1-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-N-methylmethanamine
CID 63248936
azepan-1-yl-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]methanone
CID 110335461
1-(2-methoxyethylsulfonyl)piperidine-4-carbaldehyde
CID 63844849
5-chloro-2-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]pyridine
CID 136574343
N-(2,5-dimethoxyphenyl)-1-ethylsulfonylpiperidin-4-amine
CID 3330886
3-chloro-N-(1-propylsulfonylpiperidin-4-yl)benzamide
CID 110823059
N-[(2-chlorophenyl)methyl]-1-(2-methoxyethylsulfonyl)piperidine-3-carboxamide
CID 110335849

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[[1-(2-methoxyethylsulfonyl)piperidin-4-yl]amino]phenol?
The IUPAC name of 4,5-dichloro-2-[[1-(2-methoxyethylsulfonyl)piperidin-4-yl]amino]phenol (CID 175764569) is 4,5-dichloro-2-[[1-(2-methoxyethylsulfonyl)piperidin-4-yl]amino]phenol.
What is the SMILES notation for 4,5-dichloro-2-[[1-(2-methoxyethylsulfonyl)piperidin-4-yl]amino]phenol?
The canonical SMILES for 4,5-dichloro-2-[[1-(2-methoxyethylsulfonyl)piperidin-4-yl]amino]phenol is COCCS(=O)(=O)N1CCC(Nc2cc(Cl)c(Cl)cc2O)CC1.
What is the InChIKey of 4,5-dichloro-2-[[1-(2-methoxyethylsulfonyl)piperidin-4-yl]amino]phenol?
The InChIKey is BXOCKFITLRROMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O4S/c1-22-6-7-23(20,21)18-4-2-10(3-5-18)17-13-8-11(15)12(16)9-14(13)19/h8-10,17,19H,2-7H2,1H3.
What are the key properties of 4,5-dichloro-2-[[1-(2-methoxyethylsulfonyl)piperidin-4-yl]amino]phenol?
4,5-dichloro-2-[[1-(2-methoxyethylsulfonyl)piperidin-4-yl]amino]phenol has a molecular weight of 383.30 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[[1-(2-methoxyethylsulfonyl)piperidin-4-yl]amino]phenol is sourced from PubChem (CID 175764569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).