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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 89864135
CID 89864135
CID 137348015
CID 137348015
CID 71819722
CID 71819722
CID 86278955
CID 86278955
CID 86279953
CID 86279953
CID 117607000
CID 117607000
CID 117607005
CID 117607005
CID 117607009
CID 117607009
CID 117607010
CID 117607010
CID 117607030
CID 117607030
CID 117610817
CID 117610817
CID 117610828
CID 117610828

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).